[ CAS No. 3932-97-6 ] {[proInfo.proName]}

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Quality Control of [ 3932-97-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 3932-97-6 ]

SDS Specification

Alternatived Products of [ 3932-97-6 ]

Product Details of [ 3932-97-6 ]

CAS No. :	3932-97-6	MDL No. :	MFCD03426408
Formula :	C₅HCl₂F₃N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IDRUEHMBFUJKAK-UHFFFAOYSA-N
M.W :	216.98	Pubchem ID :	2782774
Synonyms :

Calculated chemistry of [ 3932-97-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	1
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	37.05
TPSA :	25.78 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.85
Log Po/w (XLOGP3) :	3.01
Log Po/w (WLOGP) :	3.95
Log Po/w (MLOGP) :	1.92
Log Po/w (SILICOS-IT) :	3.3
Consensus Log Po/w :	2.81

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.39
Solubility :	0.0893 mg/ml ; 0.000412 mol/l
Class :	Soluble
Log S (Ali) :	-3.22
Solubility :	0.132 mg/ml ; 0.000608 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.78
Solubility :	0.0362 mg/ml ; 0.000167 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.82

Safety of [ 3932-97-6 ]

Signal Word:	Danger	Class:	8,6.1
Precautionary Statements:	P264-P270-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501	UN#:	2922
Hazard Statements:	H301-H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 3932-97-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 3932-97-6 ]
Downstream synthetic route of [ 3932-97-6 ]

[ 3932-97-6 ] Synthesis Path-Upstream 1~1

1
[ 3932-97-6 ]
[ 1374640-70-6 ]

Reference： [1] Patent: WO2013/138495, 2013, A1,
[2] Patent: WO2013/138502, 2013, A1,
[3] Patent: WO2014/182593, 2014, A1,

[ 3932-97-6 ] Synthesis Path-Downstream 1~11

1
[ 19008-43-6 ]
[ 3932-97-6 ]
[ 919116-55-5 ]
C₁₉H₁₃ClF₃N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
43%	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 20 - 60℃;	C-1a) benzyl 4-(4-chloro-5-trifluoromethyl-pyrimidin-2-ylamino)-benzoate 10 g (44 mmol) <strong>[19008-43-6]benzyl 4-aminobenzoate</strong> is dissolved in 200 mL DMA, 8 mL Hünig base (0.97 eq) is added and 10.4 g (48.21 mmol) 2,4-dichloro-5-trifluoromethylpyrimidine, dissolved in 50 mL DMA, are added dropwise at RT to the clear solution. The reaction solution is stirred overnight at 60 C., then combined with 300 mL dichloromethane and extracted with distilled water (3*300 mL). The organic phase is dried on sodium sulphate and the solvent is eliminated in vacuo. The crude product is combined with 100 mL MeOH, digested and left to stand for 2 h. Then the mixture is stirred for 10 min, the precipitate is filtered off and washed with methanol (methanolic filtrate contains the unwanted regioisomer of the nucleophilic substitution). Finally the crude product is once more suspended in methanol, filtered off, washed with a little methanol and dried at 60 C. in the vacuum dryer. 8.5 g (20.7 mmol, 43%) of C-1a is obtained in the form of a light yellow solid. Rf=0.71 (silica gel, cHex:EE 1:2) MS-ESI+: 408 (M+H)+

Reference： [1]Patent: US2007/32514,2007,A1 .Location in patent: Page/Page column 15

2
[ 19008-43-6 ]
[ 3932-97-6 ]
[ 919116-55-5 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 20 - 60℃;	D-2) Benzyl 4-(4-chloro-5-trifluoromethvt?yrimidin-2-ylamino)-benzoate <n="31"/>1O g (44 mmol) <strong>[19008-43-6]benzyl 4-aminobenzoate</strong> D-I are dissolved in 200 mL DMA, 8 rnL of Hnig base (0.97 eq) are added and 10.4 g (48.21 mmol) of 2,4-dichloro-5- trifluoromethylpyrimidine, dissolved in 50 mL DMA, are added dropwise to this solution at RT. The reaction solution is stirred overnight at 600C, then combined with 300 mL DCM and extracted with distilled water (3 times 300 mL). The organic phase is dried and the solvent is eliminated in vacuo. The crude product is combined with 100 mL MeOH, digested and left to stand for 2 h. Then it is stirred for 10 min, the precipitate is filtered off and washed with MeOH. Finally the crude product is suspended again in MeOH, filtered off, washed with a little MeOH and dried at 600C in the vacuum dryer. 8.5 g of D-2 are obtained.Rf = 0.71 (silica gel, cHex:EE 1 :2) MS-ESI+: 408 (M+H)+
	With N-ethyl-N,N-diisopropylamine; In ISOPROPYLAMIDE; at 20 - 60℃;	10g (44 mmol) <strong>[19008-43-6]benzyl 4-aminobenzoate</strong> are dissolved in 200 mL DMA, 8 mL Hünig base (0.97 eq) are added and 10.4 g (48.21 mmol) 2,4-dichloro-5-trifluoromethylpyrimidine, dissolved in 50 mL DMA, are added dropwise at RT to this solution. The reaction mixture is stirred at 60 C. overnight, then combined with 300 mL DCM and extracted with water (3 times 300 mL). The organic phase is dried and the solvent is eliminated in vacuo. The crude product is combined with 100 mL MeOH, digested and left to stand for 2 h. Then it is stirred for 10 min, the precipitate is filtered off and washed with MeOH. Finally the crude product is again suspended in MeOH, filtered off, washed with a little MeOH and dried in the vacuum dryer at 60 C. 8.5 g A-2a are obtained.Rf=0.71 (silica gel, cHex:EE 1:2)MS-ESI+: 408 (M+H)+

Reference： [1]Patent: WO2008/77885,2008,A2 .Location in patent: Page/Page column 29-30
[2]Patent: US2009/163467,2009,A1 .Location in patent: Page/Page column 8

3
[ 6274-22-2 ]
[ 3932-97-6 ]
[ 1073160-19-6 ]

Yield	Reaction Conditions	Operation in experiment
40%		Preparation of 4-(4-chloro-5-(trifluoromethyl)pyrimidin-2-ylamino)-N-methylbenzamide (B20) ; A solution of 2,4-dichloro-5-trifluoromethyl-pyrimidine (8.63 mmol) in 1:1 t-BuOH/DCE (10 mL) was cooled to 5 C., treated with solid ZnBr2 (22.5 mmol), and stirred at 5 C. for 30 minutes. The resultant solution was maintained at 5 C. and treated first with solid <strong>[6274-22-2]4-amino-N-methyl-benzamide</strong> (7.5 mmol) followed by TEA (16.5 mmol). The resultant white mixture was allowed to warm 25 C., and it was mixed at 25 C. for 20 hours. The mixture was adsorbed onto silica gel, and the fraction eluting 0-10% methanol/DCM was collected and concentrated. The resultant residue was triturated with water and filtered to provide B20. Yield: 3.0 mmol, 40%. LCMS 2.3 min, MZ+=331.1 1H NMR (500 MHz, d6-DMSO) delta ppm 10.89 (s, 1H), 8.87 (s, 1H), 8.34 (d, J=4.67 Hz, 1H), 7.73-7.89 (m, 3H), 2.78 (d, J=4.67 Hz, 3H).

Reference： [1]Patent: US2009/54395,2009,A1 .Location in patent: Page/Page column 46

4
[ 3932-97-6 ]
[ 70654-85-2 ]
[ 1152262-37-7 ]

Yield	Reaction Conditions	Operation in experiment
69%	With triethylamine; zinc(II) chloride; In 1,2-dichloro-ethane; tert-butyl alcohol; at 0 - 20℃;	2,4-Dichloro-5-triflouromethylpyrimidine (2.80 g, 13.04 mmol) and anhydrous ZnCl2 (1.76 g, 13.04 mmol) were stirred in tert-butanol:l,2-dichloroethane (1:1, 90 mL) for 1 h at room temperature before cooling to 0 0C. 2,2-Dioxo-l,3-dihydrobenzo[c]thiophene-5-yl amine (1.56 g, 8.52 mmol, 80% purity) was then added in a single portion, followed by the dropwise addition Of Et3N (1.87 mL, 13.04 mmol) in tert-butanol:l,2-dichloroethane (1:1, 6.3 mL). The reagents were allowed to stir and warm to room temperature overnight. The solvent was then removed in vacuo and the tan solid suspended in methanol (200 mL) for 2 h before being filtered off, washed with methanol (10 mL) and diethyl ether (20 mL) and dried to produce a pale tan powder (1.7 g, 69%). Rt = 2.32 min; M-H = 362.

Reference： [1]Patent: WO2009/63240,2009,A1 .Location in patent: Page/Page column 45

5
[ 20876-36-2 ]
[ 3932-97-6 ]
[ 717907-76-1 ]

Yield	Reaction Conditions	Operation in experiment
82%		To a solution of 5-trifluoromethyl-2,4-dichloropyrimidine (214.8 g; 0.921 mol) in 1:1 DCE/tBuOH (1.240 L) was added Zinc chloride 1 M solution in ether (1 eq; 0.921 L). After 0.5 hour, 5-amino-oxindole (124 g; 0.837 mol) was added followed by triethylamine (129.4 ml; 0.921 mol) keeping temperature at 25° C. The reaction was allowed to stir at room temperature overnight, then was concentrated and the product triturated from methanol as a yellow solid (224.3 g; 82percent). 1H NMR (DMSO-d6, 400 MHz) delta 3.29 (s, 2H), 6.76 (d, J=7.9 Hz, 2H), 7.39 (d, J=8.3 Hz), 7.51 (br s, 1H), 8.71 (s, 1H), 10.33 (s, 1H), 10.49 (s, 1H). 13C NMR (DMSO-d6, 100 MHz) delta 177.0, 161.3, 158.7 (br), 140.7, 132.8, 126.9, 123.7 (q, J=268 Hz), 121.0, 118.7, 111.2 (q, J=32 Hz), 109.6, 36.7; HPLC ret. time: 5.759 min. LRMS (M+) 329.1, 331.1.
		T-butyl alcohol (3 L/kg) and zinc dibromide (5.07 kg) were charged to the reactor then stirred for 10 minutes. 5-Aminooxindole (3.00 kg) and dichloroethane (3 L/kg) were then added followed by stirring 30 minutes. The product from Step 1 was added then the triethylamine was added over 30 minutes keeping the temperature below 35° C., and the reaction mixture was stirred overnight. Methanol (13.5 L) was added to the reaction mixture. The reaction mixture was then filtered through two Buchner funnels over several hours, filtration was aided by constantly moving the filter cake. The filter cakes were rinsed with methanol (6.4 L). The reactor was charged with methanol (15 L) and the wet cake was returned to the reactor and stirred for 1 hour, filtered over two Buchner funnels and washed with methanol (2.5 L). Trituration and filtration were repeated and the product was dried in the vacuum dried at 33° C. for 12 hours. GC headspace showed 0.1percent methanol remained in the product.

Reference： [1]Patent: US2005/256144,2005,A1 .Location in patent: Page/Page column 20
[2]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 6071 - 6077
[3]Patent: US2011/33441,2011,A1 .Location in patent: Page/Page column 8

6
[ 33322-60-0 ]
[ 3932-97-6 ]
[ 1141379-20-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 6071 - 6077

7
[ 3932-97-6 ]
[ 934-22-5 ]
[ 326827-21-8 ]
N²-(1H-benzo[d]imidazol-6-yl)-N⁴-(5-cyclobutyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
14 mg		Example 297: Preparation of N2-(lH-benzo[d]imidazol-6-yl)-N4-(5-cyclobutyl-lH-pyrazol- 3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine2,4-Dichloro-5-(trifluoromethyl)pyrimidine (0.087 g, 0.401 mmol), 5-cyclobutyl-lH- pyrazol-3-amine (0.055 g, 0.401 mmol) and N-ethyl-N-isopropylpropan-2-amine (0.077 ml,0.441 mmol) were mixed in acetonitrile (2 ml). The mixture was microwaved at 80 C for 20 min and then concentrated. lH-benzo[d]imidazol-6-amine (0.053 g, 0.401 mmol) and acetic acid (0.024 g, 0.401 mmol) were added. The mixture was microwaved at 110 C for 20 min and then concentrated. 14 mg of product was recovered after automated reverse phase chromatography (water-MeCN). MS calcd for [Ci9Hi7F3N8+H]+: 415.16, found 415.20.

Reference： [1]Patent: WO2016/33100,2016,A1 .Location in patent: Page/Page column 227

8
[ 3932-97-6 ]
[ 57631-05-7 ]
1-(2-chloro-5-trifluoromethylpyrimidin-4-yl)-3-trifluoromethyl-1H-indazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A solution of 3-triflouromethylindazole (931 mg, 5.0 mmol) in dry DMF (15 mL) cooled to 0 C is treated with NaH (200 mg, 5.0 mmol, 60% in mineral oil). After stirring at 25 C for 2 h the mixture is cooled to 0 C and 2,4-dichloro-5-trifluoromethylpyrimidine (1.085 g, 5.0 mmol) is added. After stirring for 4 h the mixture is quenched with water (50 mL) and extracted with ethyl acetate (3 x 25 mL), washed with water (2 x 25 mL) and saturated brine (25 mL), and dried over MgSO4. The solvent is removed under reduced pressure, and the residue is purified by column chromatography (Pet/EtOAc 20/1) to afford 1-(2-chloro-5-trifluoromethylpyrimidin-4-yl)-<strong>[57631-05-7]3-trifluoromethyl-1H-indazole</strong> as a white solid.

Reference： [1]Patent: WO2017/120429,2017,A1 .Location in patent: Page/Page column 321

9
[ 50820-65-0 ]
[ 3932-97-6 ]
methyl 3-[2-chloro-5-(trifluoromethyl) pyrimidin-4-yl]-1H-indole-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a solution of 2, 4-dichloro -5-(trifluoromethyl)pyrimidine (24.77 g, 114.16 mmol, 2.00 eq) in DCE (200.00 mL) was added AlCl3 (15.98 g, 119.87 mmol, 6.55 mL, 2.10 eq). The mixture was stirred at 90 C for 30 min, and then <strong>[50820-65-0]methyl 1H-indole-6-carboxylate</strong> (10.00 g, 57.08 mmol, 1.00 eq) was added at 90 C. The resulting mixture was stirred at 90 C for 15.5 h. The reaction mixture was filtered. The filtrate was diluted with water (200 mL) and extracted with DCM (80 mLx3). The combined organic layers were washed with brine (200 mLx2), dried over Na2SO4, filtered and concentrated under reduced pressure to give a residue. The residue was washed with MeOH (50 mL) and filtered to afford the title compound (4.00 g, 10.57 mmol, 18.52% yield, 94% purity) as a yellow solid.
		To a solution of 2, 4-dichloro -5- (trifluoromethyl) pyrimidine (24.77 g, 114.16 mmol, 2.00 eq) in DCE (200.00 mL) was added AlCl3 (15.98 g, 119.87 mmol, 6.55 mL, 2.10 eq). The mixture was stirred at 90 C for 30 min, and then methyl lH-indole- 6-carboxylate (10.00 g, 57.08 mmol, 1.00 eq) was added at 90 C. The resulting mixture was stirred at 90 C for 15.5 h. The reaction mixture was filtered. The filtrate was diluted with water (200 mL) and extracted with DCM (80 mLx3). The combined organic layers were washed with brine (200 mLx2), dried over Na2S04, filtered and concentrated under reduced pressure to give a residue. The residue was washed with MeOH (50 mL) and filtered to afford the title compound (4.00 g, 10.57 mmol, 18.52% yield, (0396) 94% purity) as a yellow solid.

Reference： [1]Patent: WO2018/13867,2018,A1 .Location in patent: Paragraph 350
[2]Patent: WO2019/143719,2019,A1 .Location in patent: Paragraph 167

10
[ 1196473-37-6 ]
[ 3932-97-6 ]
C₁₂H₇BClF₃N₂O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
140 mg		Step 4: 2,4-Dichloro-5-trifluoromethylpyrimidine (2.89 g, 13.34 mmol, 1.0 eq) was dissolved in 1,2-dichloroethane (25 mL) and tert-butanol (25 mL).After cooling to 0 ° C, a solution of zinc dichloride in diethyl ether (40 mL, 40.00 mmol, 3.0 eq) was added, and the mixture was stirred at 0 ° C for 20 minutes.Intermediate 5-16 (2.00 g, 13.34 mmol, 1.0 eq) of a mixed solution of 1,2-dichloroethane (25 mL) and tert-butanol (25 mL) was slowly added dropwise.Triethylamine (4.05 g, 40.02 mmol, 3.0 eq), after completion of the addition, the cooling was stopped, and the mixture was allowed to react to room temperature for 16 hours.The reaction mixture was poured into chloroform (200 mL), washed with water (50 mL)The filtrate was purified on silica gel column, dichloromethane: methanol (20: 1) to give Intermediate 4-7 were combined and concentrated to give a total of 140mg.

Reference： [1]Patent: CN108329274,2018,A .Location in patent: Paragraph 0210; 0212; 0217

11
[ 129488-10-4 ]
[ 3932-97-6 ]
C₁₇H₁₅ClF₃N₅O₂ [ No CAS ]
C₁₇H₁₅ClF₃N₅O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32.15%; 40.19%	With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 20℃;	Compound 2,4-dichloro-5-(trifluoromethyl)pyrimidine (3 g, 13.825 mmol) and N,N-diisopropylethylamine (2.14g, 16.59 mmol) were dissolved in isopropanol (100 mL), compound Reg-1-1-c (3.2 g, 13.825 mmol) was then added tothe aforementioned solution in portions. The reaction was performed at room temperature for 16 hours. LC-MS indicatedthe reaction was complete. The reaction solution was filtered, and the filter cake was rinsed once with isopropanol toafford compound Reg-1-24 (2.3 g, pink solid, yield: 40.19percent); the filtrate was washed with saturated brine, dried overanhydrous sodium sulfate, and then concentrated to dryness, to afford compound Reg-1-23 (1.84 g, dark red solid, yield:32.15percent. Characterization data of the compound are as follows:
32.15%; 40.19%	With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 20℃; for 16h;	Compound 2,4-dichloro-5-(trifluoromethyl)pyrimidine (3 g, 13.825 mmol) and N,N-diisopropylethylamine (2.14 g, 16.59 mmol) were dissolved in isopropanol (100 mL), compound Reg-1-1-c (3.2 g, 13.825 mmol) was then added to the aforementioned solution in portions. The reaction was performed at room temperature for 16 hours. LC-MS indicated the reaction was complete. The reaction solution was filtered, and the filter cake was rinsed once with isopropanol to afford compound Reg-1-24 (2.3 g, pink solid, yield: 40.19percent); the filtrate was washed with saturated brine, dried over anhydrous sodium sulfate, and then concentrated to dryness, to afford compound Reg-1-23 (1.84 g, dark red solid, yield: 32.15percent). Characterization data of the compound are as follows

Reference： [1]Patent: EP3421465,2019,A1 .Location in patent: Page/Page column 0123; 0124
[2]Patent: EP3421464,2019,A1 .Location in patent: Paragraph 0121; 0122

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 3932-97-6 ] {[proInfo.proName]}

Quality Control of [ 3932-97-6 ]

Related Doc. of [ 3932-97-6 ]

Product Details of [ 3932-97-6 ]

Calculated chemistry of [ 3932-97-6 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 3932-97-6 ]

Application In Synthesis of [ 3932-97-6 ]

[ 3932-97-6 ] Synthesis Path-Upstream 1~1

[ 3932-97-6 ] Synthesis Path-Downstream 1~11

Technical Information

Related Functional Groups of [ 3932-97-6 ]

Fluorinated Building Blocks

Chlorides

Trifluoromethyls

Related Parent Nucleus of [ 3932-97-6 ]

Pyrimidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 3932-97-6 ]

Related Parent Nucleus of
[ 3932-97-6 ]