[ CAS No. 1897-52-5 ] {[proInfo.proName]}

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Quality Control of [ 1897-52-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1897-52-5 ]

SDS Specification

Alternatived Products of [ 1897-52-5 ]

Product Details of [ 1897-52-5 ]

CAS No. :	1897-52-5	MDL No. :	MFCD00001778
Formula :	C₇H₃F₂N	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	BNBRIFIJRKJGEI-UHFFFAOYSA-N
M.W :	139.10	Pubchem ID :	74695
Synonyms :

Calculated chemistry of [ 1897-52-5 ] Expand+

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	31.07
TPSA :	23.79 ?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) :	-5.84 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.61
Log Po/w (XLOGP3) :	1.84
Log Po/w (WLOGP) :	2.68
Log Po/w (MLOGP) :	2.32
Log Po/w (SILICOS-IT) :	2.64
Consensus Log Po/w :	2.22

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.31
Solubility :	0.688 mg/ml ; 0.00495 mol/l
Class :	Soluble
Log S (Ali) :	-1.96
Solubility :	1.52 mg/ml ; 0.011 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.01
Solubility :	0.135 mg/ml ; 0.000971 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.41

Safety of [ 1897-52-5 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405	UN#:	3439
Hazard Statements:	H301+H311+H331-H315-H319	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1897-52-5 ]

* 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 [ 1897-52-5 ]
Downstream synthetic route of [ 1897-52-5 ]

[ 1897-52-5 ] Synthesis Path-Upstream 1~7

1
[ 1897-52-5 ]
[ 141-52-6 ]
[ 119584-73-5 ]

Reference： [1] Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1173 - 1177

2
[ 64-17-5 ]
[ 1897-52-5 ]
[ 119584-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3135 - 3143

3
[ 1897-52-5 ]
[ 143879-78-1 ]

Reference： [1] Patent: CN106588818, 2017, A,

4
[ 1897-52-5 ]
[ 1009734-33-1 ]

Reference： [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3135 - 3143

5
[ 1897-52-5 ]
[ 871940-31-7 ]

Reference： [1] Journal of Organic Chemistry, 2011, vol. 76, # 12, p. 5143 - 5148

6
[ 1897-52-5 ]
[ 1250444-23-5 ]

Yield	Reaction Conditions	Operation in experiment
71%	at 35℃; Inert atmosphere	2 L four-necked flask, 600mL60percent sulfuric acid was added, with stirring was added 2,6-difluorobenzonitrile 139.0g (1.0mol), in N₂Under protection, control of the reaction temperature below 35°C, points added 250.5g of KBrO3 10 portions(1.5mol), TLC monitoring, the reaction 5-6 days, until starting material disappeared point, the reaction was stopped, the ice preparation 800mL20percent saline solution, the reaction mixture was poured into iced brine.After settlement products, quickly suction filtration to give a crude orange product with CCl₄The crude product was dissolved, respectively, with 5percent NaHSO₃Solution, saturated Na₂CO₃Solution was washed with water until the solution was neutral, dried over anhydrous sodium sulfate, the solution was filtered, 60 water bath rotary evaporation to give a pale yellow liquid was cooled to a standstill for some time as a pale yellow solid, distillation under reduced pressure, condensed steam heated, oil bath was raised to 90 deg.] C, taking the temperature of 58-62°C steam fraction, and cooled to obtain a white solid product, 71percent yield.
71%	at 35℃; Inert atmosphere	Take 2 L four bottles, add 600 mL of 60percent sulfuric acid, electric stirring by adding 2,6_ difluorobenzonitrile 139.0 g (1.0 mol). Under N2 protection, the control reaction temperature was below 35 ° C, and 250 μm g of KBr03 (1.5 mol) was added to 10 batches. TLC monitoring, reaction 5-6 days, until the raw material point disappears, stop the reaction, the preparation of 800 mL 20percent ice salt solution, the reaction solution Into the ice salt. After the product settling, the rapid filtration, the orange crude products, with CC14 dissolved crude products, respectively, with 5percent Of NaHS03 solution, saturated Na2C03 solution and water to the solution was neutral, dried over anhydrous sodium sulfate, the solution was filtered, the water bath 60 ° C steamed to obtain light yellow liquid, rest for some time to cool into a pale yellow solid, vacuum distillation, warm water condensing steam, oil The bath was heated to 90 ° C and the fraction at a steam temperature of 58-62 ° C was cooled to give a white solid product in 71percent yield

Reference： [1] Patent: CN104004016, 2016, B, . Location in patent: Paragraph 0043; 0044; 0045
[2] Patent: CN104017021, 2016, B, . Location in patent: Paragraph 0030-0034
[3] Patent: WO2013/39802, 2013, A1, . Location in patent: Page/Page column 37; 38
[4] Patent: EP2755656, 2016, B1, . Location in patent: Paragraph 0118; 0119

7
[ 1897-52-5 ]
[ 1250444-23-5 ]

Yield	Reaction Conditions	Operation in experiment
70%	at 0 - 20℃; for 24 h;	A solution of 2,6- difluorobenzonitrile (5.0 g, 36 mmol) in concentrated sulfuric acid (25 mL) was treated with NBS (7.0 g, 29.5 mmol) at 0 °C and stirred at ambient temperature for 24 hours. Ice (about 100 g) was added to the reaction mixture. After melting, the mixture was extracted with MTBE (100 mL). The organic layer was separated, washed with brine, dried (sodium sulfate), filtered and concentrated under reduced pressure. The residue was purified by flash chromatography on silica gel eluting with 5: 1 to 1 :2 hexanes/ethyl acetate to give both 3- bromo-2,6-difluorobenzonitrile (5.5 g, 70percent yield) as solid and 3-bromo-2,6- difluorobenzamide (2.1 g, 25percent) as solid.

Reference： [1] Patent: WO2015/35223, 2015, A1, . Location in patent: Paragraph 0774

[ 1897-52-5 ] Synthesis Path-Downstream 1~10

1
[ 1897-52-5 ]
[ 124-41-4 ]
[ 94088-46-7 ]

Yield	Reaction Conditions	Operation in experiment
99%	In methanol; at 0 - 20℃;	Synthesis Route 21.5: 2-Fluoro-6-methoxybenzonitrile (analogous to WO 99/14187):640.5 g (4.6 mol) of difluorobenzonitrile were dissolved in 3.5 I of methanol and then cooled to 0-50C. 828.8 g of 30% strength sodium methoxide solution were added dropwise in this temperature range, and the reaction mixture was stirred at room temperature overnight. Then the reaction mixture was added to 20 I of water and the precipitate was filtered off with suction and washed twice with water and twice with heptane. The solid was dried in vacuo at 50C. Yield: 740 g (99% of theory) of a white solid with a purity of >95% according to GC.1H NMR (in CDCI3): delta = 3.95 ppm (s, 3H, 0-CH3), 6.85 ppm (m, 2H, arom. H), 7.5 ppm (q, 1H, arom. H). ;
	In methanol; at 0 - 20℃;	I. Synthesis Examples; Example 1.1 : 2-Difluoromethoxy-6-prop-2-ynylsulfamoyl-thiobenzamide (4); 1.1. 2-Fluoro-6-methoxybenzonitrile:; 640.5 g (4.6 mol) of difluorobenzonitrile have been dissolved in 3.5 I of methanol and then cooled to 0-5 C. 828.8 g of 30% strength sodium methoxide solution have been added dropwise in this temperature range, and the reaction mixture has been stirred at room temperature overnight. Then the reaction mixture has been added to 20 I of water and the precipitate has been filtered off with suction and washed twice with water and twice with heptane. The solid has been dried in vacuo at 50 C to yield 740 g (455 mmol) of the title compound as a white solid.
	In methanol; at 20℃;	To a solution of A6.1 (500 g, 3.6 mol) in 2.5 L MeOH was added sodium methoxide (388 g, 7.2 mol) in portions slowly. The mixture was stirred at rt overnight. The reaction mixture was poured into 15 L H2O and the precipitate was filtered off and washed twice with 2.0 L H2O to give the title compound (1140 g) as a white solid, the crude product will be used in next step without further purification. 1H NMR (500 MHz, CDCl3) delta ppm 3.96 (s, 3H), 6.79 (dd, 2H), 7.52 (dd, 1H)

In methanol; at 20℃;Large scale;

To a solution of A3.l (500 g, 3.6 mol) in 2.5 L MeOH was added sodium methoxide (388 g, 7.2 mol) in portions slowly. The mixture was stirred at rt overnight. The reaction mixture was poured into 15 L H20 andthe precipitate was filtered off and washed twice with 2.0 L H20 to give the title compound (1140 g) as a white solid, the crude product will be used in next step without further purification. 1H NMR (500 MHz, CDCI3) O ppm 3.96 (5, 3H), 6.79 (dd, 2H), 7.52 (dd, 1H).

Reference： [1]Patent: WO2006/56433,2006,A2 .Location in patent: Page/Page column 29
[2]Journal of Heterocyclic Chemistry,1988,vol. 25,p. 1173 - 1177
[3]Patent: WO2007/93530,2007,A1 .Location in patent: Page/Page column 244
[4]Journal of Medicinal Chemistry,2012,vol. 55,p. 3135 - 3143
[5]Patent: WO2017/221092,2017,A1 .Location in patent: Paragraph 00153
[6]Patent: WO2017/221100,2017,A1 .Location in patent: Paragraph 000148

2
[ 1897-52-5 ]
[ 141-52-6 ]
[ 119584-73-5 ]

Reference： [1]Journal of Heterocyclic Chemistry,1988,vol. 25,p. 1173 - 1177

3
[ 6494-19-5 ]
[ 1897-52-5 ]
[ 786658-39-7 ]

Yield	Reaction Conditions	Operation in experiment
32.5%	With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 5h;	2,6-Difluorobenzonitrile (5.89 g), <strong>[6494-19-5]3-methyl-6-nitroindazole</strong> (5.00 g) and powdered potassium carbonate (11.7 g) were stirred in DMF (85 mL) in an atmosphere of nitrogen at 90°C for 5 hours. The reaction mixture was cooled to room temperature, and a precipitated insoluble substance was removed by filtration. The DMF was distilled away from the resulting filtrate under reduced pressure. The resulting residue was dissolved in ethyl acetate, water was added to the solution, and then the mixture was separated. The organic layer was sequentially washed with water and a saturated brine solution and was dried over anhydrous magnesium sulfate. The ethyl acetate was distilled away under reduced pressure. Subsequently, the resulting residue was purified by silica gel column chromatography (eluate: ethyl acetate/hexane = 40/60) to give Compound 3 (2.72 g, yield 32.5percent) as crystals. Melting point: 199.7°C 1H-NMR (300 MHz, CDCl3) delta (ppm): 8.41 (1H, d, J = 2.0 Hz), 8.16 (1H, dd, J = 2.0, 8.8 Hz), 7.89 (1H, d, J = 8.8 Hz), 7.81 (1H, dt, J = 6.0, 8.3 Hz), 7.51 (1H, d, J = 8.3 Hz), 7.35 (1H, dt, J = 0.9, 8.3 Hz), and 2.73 (3H, s). 13C-NMR (75 MHz, CDCl3) delta(ppm): 164.5 (d, 1J = 262 Hz), 147.7, 146.5, 141.8 (d, 3J = 2.5 Hz), 139.1, 135.3 (d, 3J = 10.0 Hz), 128.4, 121.9, 121.1 (d, 4J = 3.8 Hz), 116.9, 115.6 (d, 2J = 19.9 Hz), 111.2, 106.6, 99.3 (d, 2J = 17.4 Hz), and 12.0. IR (KBr, cm-1): 2,233 (CN), 1,535 and 1,350 (NO2).

Reference： [1]Patent: EP1627877,2006,A1 .Location in patent: Page/Page column 13

4
[ 1897-52-5 ]
[ 1475-11-2 ]
[ 872181-29-8 ]

Yield	Reaction Conditions	Operation in experiment
		Example 78; 5-[1-(3,4-Dichlorophenyl)-ethoxy]-quinazoline-2,4-diamine; [00244] Step 1; To a cold (ice water) suspension of sodium hydride (316 mg; 7.9 mmol) in anhydrous DMF (10 mL) is added a solution of 1-(3,4-dichlorophenyl)- ethanol (1.40 g; 7.3 mmol) in anhydrous DMF (5 mL) over 30 minutes. After allowing to room temperature over 30 minutes, this solution is added to a cold (ice water) stirred solution of 2,6-difluorobenzonitrile (1.0 g; 7.2 mmol) in anhydrous DMF (15 mL), and allowed to room temperature over 2 hours. The reaction mixture is poured into ice water with vigorous stirring and extracted with ethyl acetate. The organics are separated and dried over magnesium sulfate. The solvent is removed and the resulting oil is dried under vacuum at 30 C overnight to give 1.93 gm of 2-[1- (3,4-dichlorophenyl) -ethoxy]-6-fluorobenzonitrile.

Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 449 - 469
[2]Patent: WO2005/123724,2005,A1 .Location in patent: Page/Page column 58

5
[ 7583-53-1 ]
[ 1897-52-5 ]
[ 872180-57-9 ]

Yield	Reaction Conditions	Operation in experiment
		Example 20; 5-(1-Methylpiperidin-3-ylmethoxy)quinazoline-2,4-diamine; [0093] Step 1; Sodium hydride (60percent; 316 mg; 7.9 mmol) was suspended in DMF and cooled to 0 °C. 1-Methylpiperdin-3-ylmethanol (998 mg; 7.5 mmol) was added dropwise to the sodium hydride mixture. The solution was allowed to warm to room temperature and stirred for 30 minutes. The solution was then cooled to 0 °C. 2,6- Difluorobenzonitrile (1.1 g; 7.9 mmol) in DMF was cooled to 0° C and the alcohol mixture was added dropwise to the benzonitrile solution and allowed to warm to room temperature overnight. The solution was poured into water and extracted with dichloromethane and solvent removed. Purification by column chromatography (10percent ethyl acetate/ hexane) to yield 79 milligrams of 2-fluoro-6-(1-methylpiperidin-3- ylmethoxy) benzonitrile.

Reference： [1]Patent: WO2005/123724,2005,A1 .Location in patent: Page/Page column 30

6
[ 64-17-5 ]
[ 1897-52-5 ]
[ 119584-73-5 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 3135 - 3143

7
[ 1897-52-5 ]
[ 1009734-33-1 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 3135 - 3143

8
[ 67-56-1 ]
[ 1897-52-5 ]
[ 94088-46-7 ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: Example 1 Preparation of Compound Yhhu-0967 (5-methoxy-2,4-diaminoquinazoline) [0029] 2.53 g (79.08 mmol) of methanol was dropped into 5.18 g (86.27 mmol) of 40% sodium hydride suspension in tetrahydrofuran (150 ml) at 0 C. and stirred for 10 min, followed by dropwise addition of 10.0 g (71.89 mmol) of 2,6-difluorobenzonitrile in tetrahydrofuran (100 ml). The reaction mixture as stirred at room temperature for 10 h to complete the reaction. 200 ml of water was added thereto to destroy the excess sodium hydride, and the reaction mixture was extracted with 500 ml of ethyl acetate. The organic layer was dried with anhydrous sodium sulfate and evaporated to dryness. The residue was passed through column chromatography to provide an intermediate. The intermediate and 17.41 g (143.78 mmol) of guanidine carbonate were heated to 140 C. in 300 ml of N,N-dimethylacetamide and stirred for 8 h to complete the reaction. The reaction mixture was evaporated to dryness, then diluted with 200 ml of water and extracted with 400 ml of dichloromethane. The organic layer was dried with anhydrous sodium sulfate and then evaporated to dryness. The residue was passed through column chromatography to proved 9.85 g of compound Yhhu-0967 with a total yield of 72% in the two steps). [0030] 1H NMR (300 MHz, CHLOROFORM-d) d ppm 3.97 (s, 3H) 4.83 (br. s., 2H) 5.68 (br. s., 1H) 6.53 (d, J=8.06 Hz, 1H) 7.03 (d, J=8.55 Hz, 1H) 7.45 (t, J=8.18 Hz, 2H)

Reference： [1]Patent: US2013/261139,2013,A1 .Location in patent: Paragraph 0029-0030

9
[ 1897-52-5 ]
[ 254964-60-8 ]

Reference： [1]Patent: EP1095021,2003,B1

10
[ 1897-52-5 ]
[ 1475-11-2 ]
5-[1-(3,4-dichlorophenyl)-ethoxy]-quinazoline-2,4-diamine [ No CAS ]

Reference： [1]Patent: WO2005/123724,2005,A1

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Technical Information

? Alkyl Halide Occurrence ? Benzylic Oxidation ? Birch Reduction ? Blaise Reaction ? Blanc Chloromethylation ? Catalytic Hydrogenation ? Complex Metal Hydride Reductions ? Friedel-Crafts Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Reactions of Benzene and Substituted Benzenes ? Ritter Reaction ? Thorpe-Ziegler Reaction ? Vilsmeier-Haack Reaction

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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. 1897-52-5 ] {[proInfo.proName]}

Quality Control of [ 1897-52-5 ]

Related Doc. of [ 1897-52-5 ]

Product Details of [ 1897-52-5 ]

Calculated chemistry of [ 1897-52-5 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1897-52-5 ]

Application In Synthesis of [ 1897-52-5 ]

[ 1897-52-5 ] Synthesis Path-Upstream 1~7

[ 1897-52-5 ] Synthesis Path-Downstream 1~10

Technical Information

Related Functional Groups of [ 1897-52-5 ]

Fluorinated Building Blocks

Aryls

Nitriles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1897-52-5 ]