[ CAS No. 100367-77-9 ] {[proInfo.proName]}

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Quality Control of [ 100367-77-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 100367-77-9 ]

Product Details of [ 100367-77-9 ]

CAS No. :	100367-77-9	MDL No. :	MFCD03788564
Formula :	C₆H₆BrNO₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CNHISCQPKKGDPO-UHFFFAOYSA-N
M.W :	236.09	Pubchem ID :	353965
Synonyms :

Calculated chemistry of [ 100367-77-9 ] Expand+

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.33
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	45.9
TPSA :	67.43 ?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) :	-5.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.22
Log Po/w (XLOGP3) :	2.53
Log Po/w (WLOGP) :	2.08
Log Po/w (MLOGP) :	0.81
Log Po/w (SILICOS-IT) :	2.9
Consensus Log Po/w :	2.11

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.04
Solubility :	0.217 mg/ml ; 0.00092 mol/l
Class :	Soluble
Log S (Ali) :	-3.59
Solubility :	0.0603 mg/ml ; 0.000255 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.63
Solubility :	0.547 mg/ml ; 0.00232 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.86

Safety of [ 100367-77-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 100367-77-9 ]

* 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 [ 100367-77-9 ]
Downstream synthetic route of [ 100367-77-9 ]

[ 100367-77-9 ] Synthesis Path-Upstream 1~1

1
[ 100367-77-9 ]
[ 5198-86-7 ]

Yield	Reaction Conditions	Operation in experiment
95%	With sodium tetrahydroborate; water; lithium chloride In tetrahydrofuran for 2 h;	Preparation of (2-bromothiazol-4-yl)methanol (5) To a solution of ester 4 (10.0 g, 42.4 mmol, 1 equiv) in THF (200 mL) was added NaBH4 (4.81 g, 127 mmol, 3 equiv), LiCl (5.4 g, 130 mmol, 3 equiv) and H₂O (40 mL). The resulting biphasic mixture was vigorously stirred for 2 h, after which TLC (20percent EtOAc:hexanes) showed complete consumption of starting material. The reaction was quenched with saturated aqueous NH₄Cl (200 mL), diluted with EtOAc (200 mL), and the layers were separated. The aqueous layer was extracted with EtOAc (100 mL), and the organic layers were combined, dried (Na₂SO₄), filtered, and concentrated under reduced pressure to give the title compound as a yellow semi-solid (7.82 g, 95percent). R_f= 0.2 (SiO₂, 20percent EtOAcrhexanes); ¹H and ¹³C NMR of the product matched those previously reported (Wipf and Wang 2007).
91%	at 20 - 70℃; for 8 h;	2-Bromothiazol-4-Carboxylic acid ethyl ester (11.8g, 50.0mmol)Was dissolved in absolute ethanol (100 mL)Sodium borohydride (3.8 g, 100 mmol) was added, stirred at room temperature for 4 hours, and then heated to 70 ° C for 4 hours.The solvent was evaporated under reduced pressure and the crude product was purified by column chromatography (ethyl acetate / petroleum ether (v / v) = 1/5) to give a pale yellow oil (8.85 g, 91percent).
87%	With sodium tetrahydroborate In ethanol at 0 - 70℃; for 7.5 h;	At 0 , 2-bromo-thiazole-4-carboxylate (13.30g, 56.33mmol)In ethanol (150 mL) was added portionwiseSodium borohydride (4.263 g, 112.7 mmol),Stirring was continued at 0 0.5 hours.The mixture was stirred at room temperature for 3 hours,And heated to 70 ° C for 4 hours.The solvent was distilled off under reduced pressure,Slowly add water (100 mL)Extracted with ethyl acetate (100 mL x 3).Combine organic phase,Washed with saturated brine (50 mL)Dried over anhydrous sodium sulfate.Filtration, evaporation of the solvent under reduced pressure,The crude product was purified by column chromatography (petroleum ether / ethyl acetate (v / v) = 5/1)To give a colorless oil (9.5 g, 87percent).

87%	With sodium tetrahydroborate In ethanol at 0 - 20℃; for 3 h;	Into a 500-mL round-bottom flask, was placed ethyl 2-bromothiazole-4-carboxylate (14 g, 59.30 mmol) and EtOH (200 mL). This was followed by the addition of NaBH₄ (2.3 g, 60.53 mmol) in portions at 0^oC. The resulting solution was stirred for 3 h at RT and then was quenched by the addition of 100 mL of water. The resulting solution was extracted with 2x200 mL of DCM and the organic layers combined and dried over anhydrous Na₂SO₄, then concentrated under vacuum. This resulted in 10 g (87percent) of the title compound as colorless oil. MS-ESI: 195.9, 193.9 (M+1).
87%	at 0 - 20℃; for 3 h;	Into a 500-mL round-bottom flask was placed a solution of ethyl 2-bromothiazole-4-carboxylate(14 g, 59.3 mmol), EtOH (200 mL). This was followed by the addition of NaBH₄(2.3 g, 60.5 mmol) in portions at 0°C. The resulting solution was stirred for 3 h at RT and then was quenched by the addition of 100 mL of water. The resulting solution was extracted with 2x200 mL of DCM.The organic layers were combined, dried over anhydrous Na₂S04 and then concentrated under vacuum. This resulted in 10.0 g (87percent) of the title compound as colorless oil. MS-ESI: 195.9, 193.9(M+l).
81%	at 20℃; for 3 h; Cooling	Into a 100-mL round-bottom flask was placed a solution of ethyl 2-bromo-1,3-thiazole-4- carboxylate (3 g, 12.71 mmol) in EtOH (30 mL). NaBH4 (1.0 g, 25.41 mmol) was added in portions with an ice/water bath. The resulting solution was stirred for 3 hr at room temperature. The reaction was then quenched by the addition of 100 mL of water in an ice/water bath. The resulting solution was extracted with 3x100 ml of ethyl acetate, and the combined organic layers were concentrated. This resulted in 2 g (81percent) of the title compound as yellow oil. MS-ESI: 196.2, 194.2 (M+1).
68%	With sodium tetrahydroborate; lithium chloride In tetrahydrofuran; water at 0 - 20℃; for 16 h;	NaBH₄ (2.49 g, 0.066 mol, 3 equiv), LiCl (2.79 g, 0.066 mol, 3 equiv) and H₂0 (30 mL) were added to a stirred solution ethyl 2-bromothiazole-4-carboxylate (1) (5.0 g, 0.022 mol, 1 equiv) in THF (50 mL) at 0 °C. The reaction mixture was allowed to warm to ambient temperature and stirred for 16 h. The reaction mixture was quenched with 1.5 M hydrochloric acid and the resulting mixture was extracted with ethyl acetate (2X150 mL). The combined organic layers were washed with water (150 mL), brine (150 mL), dried over Na₂S0₄, filtered through celite bed and concentrated to provide compound 2 as a pale brown liquid (3.0 g, 68percent). LC-MS (ESI⁺): m/z 195.9 (M+H)⁺ 1H-NMR (300 MHz, DMSO-d6): δ 7.48 (s, 1H), 5.43 (t, J = 5.7 Hz, 1H), 4.52 (d, J = 5.7 Hz, 2H).
67%	Stage #1: With lithium borohydride In tetrahydrofuran for 1 h; Cooling with an ice bath Stage #2: With methanol In tetrahydrofuran for 3.5 h;	Step 3 : (2-bromothiazol-4-yl)methanolA solution of ethyl 2-bromothiazole-4-carboxylate (7.821 g, 33.13 mmol) in THF (100 mL) was cooled in an ice-bath and treated portionwise with lithium borohydride (1.083 g, 49.70 mmol). After 1 hour MeOH (1.614 g, 2.040 mL, 50.36 mmol) was added over a period of half an hour. The reaction was allowed to stir for 3 hours and then the solvent was concentrated in vacuo and the resultant residue was dissolved in EtOAc, washed with HCl (2x), saturated sodium bicarbonate, followed by brine, dried (Na₂SO₄), concentrated and purified by column chromatography (EtOAc/Petroleum ether 1: 1) to give the required product as a colorless oil (4.3Og, 67percent Yield). ¹H NMR (CDCl₃, 400 MHz) δ 2.51 (IH, m), 4.75 (2H, m), 7.19 (IH, s); MS (ES⁺) 195.96

Reference： [1] Patent: WO2015/57585, 2015, A1, . Location in patent: Page/Page column 27; 28
[2] Patent: CN104478866, 2017, B, . Location in patent: Paragraph 0281; 0283; 0284
[3] Patent: CN104478869, 2017, B, . Location in patent: Paragraph 0142; 0143; 0144; 0145
[4] Patent: WO2017/184624, 2017, A1, . Location in patent: Page/Page column 185; 186
[5] Patent: WO2019/23147, 2019, A1, . Location in patent: Page/Page column 445
[6] Journal of Organic Chemistry, 2016, vol. 81, # 21, p. 10302 - 10320
[7] Patent: WO2019/23145, 2019, A1, . Location in patent: Page/Page column 393
[8] Russian Journal of General Chemistry, 2017, vol. 87, # 12, p. 2766 - 2775[9] Zh. Obshch. Khim., 2017, vol. 87, # 12, p. 1947 - 1956,10
[10] Organic Letters, 2007, vol. 9, # 8, p. 1605 - 1607
[11] Patent: WO2018/200674, 2018, A1, . Location in patent: Page/Page column 72
[12] Patent: WO2010/129668, 2010, A1, . Location in patent: Page/Page column 48
[13] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1530 - 1533
[14] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 22, p. 5172 - 5177
[15] Organic Process Research and Development, 2017, vol. 21, # 10, p. 1602 - 1609

[ 100367-77-9 ] Synthesis Path-Downstream 1~6

1
[ 100367-77-9 ]
[ 3973-08-8 ]

Reference： [1]Helvetica Chimica Acta,1942,vol. 25,p. 1075

2
[ 100367-77-9 ]
[ 170017-74-0 ]
[ 1023298-53-4 ]

Yield	Reaction Conditions	Operation in experiment
72%	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 80℃; for 3h;	Step 1 - Synthesis of Intermediate Compound AATo a solution of 2-bromo-thiazole-4-carboxylic acid (2.0 mmol, 0.42 g), N1N- diisopropylethylamine (3.0 mmol, 0.52 ml_) and HATU (2.0 mmol, 0.76 g) in DMF (10 ml_) was added 4-(2-aminophenyl)-piperazine-1 -carboxylic acid te/t-butyl ester (2.0 mmol, 0.56 g). The reaction mixture was stirred at 80 0C for 3 h, and then concentrated in vacuo. Column chromatography on silica gel using Hexane/EtOAc (4.5/1) provided Compound A as a yellow solid (0.67 g, 72%). 1H NMR (400 MHz, CDCI3) D 10.38 (s, 1 H), 8.49 (dd, J= 8.0, 1.2 Hz, 1 H), 8.14 (s, 1 H), 7.23-7.10 (m, 3 H), 3.72 (br s, 4H), 2.89-2.87 (m, 4H), 1.50 (s, 9H). HPLC-MS RT= 2.39 minutes, mass calculated for formula Ci9H2SBrN4O3S 466.07, observed LCMS m/z 467.05 (M+H).

Reference： [1]Patent: WO2008/54702,2008,A1 .Location in patent: Page/Page column 122

3
[ 100367-77-9 ]
[ 22246-66-8 ]
[ 1023298-62-5 ]

Yield	Reaction Conditions	Operation in experiment
91%	With potassium phosphate;tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 105℃; for 12h;	Example 39; Preparation of Intermediate Compound 39A; To a pressure tube charged with 2-bromo-4-carboethoxythiazole (2.5 g, 10.6 mmol) and a stir bar was added 6-methoxyisoindolin-1 -one (2.1 g, 12.7 mmol), K3PO4 (4.9 g, 23.3 mmol), Pd2(dba)3 (0.58 g, 0.64 mmol), Xant-Phos (0.62g, 1.1 mmol). Dioxane (20 mL) was added and N2 was bubbled thru the solution for 10 EPO <DP n="152"/>min before the vessel was capped. The mixture stirred at 105 C for 12h and was cooled to rt. The mixture was filtered thru a pad of Celite and was washed with CH2CI2/Me0H (20:1 ; 2 x 10 mL). The resulting filtrate was concentrated under reduced pressure and place under high vacuum. The crude product was purified using flash chromatography using a gradient from CH2Cb to 97:3 CH2CI2/acetone to provide 3.1 g (91% yield) of compound 39A as a brown solid. LC-MS [M+H] = 400.2; 98% purity.

Reference： [1]Patent: WO2008/54749,2008,A1 .Location in patent: Page/Page column 149-150

4
[ 100367-77-9 ]
[ 3347-62-4 ]
C₁₆H₁₅N₃O₂S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 6064 - 6067

5
[ 100367-77-9 ]
[ 145349-76-4 ]
ethyl 2-(4-(ethylthio)phenyl)thiazole-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In 1,4-dioxane; water; at 60℃; for 18.0h;Schlenk technique; Inert atmosphere;	General procedure: A 15-50 ml Schlenk-tube with magnetic stirring bar was evacuated and purged with Ar (repeated three times). The Schlenk-tube was subsequently charged with 5 mol-% Pd(OAc)2, 10 mol-% SPhos, 1.2 eq boronic acid, 1.0 eq aryl halide (if solid) and 5.0 mL 1 ,4-dioxane. At this point 1.0 eq aryl halide (if liquid) and 1.0 mL of a 3.4 M K3PO4 solution (degassed) was added via Eppendorf pipette in an Ar counterstream. The reaction mixture was degassed by evacuation and purging with Ar (repeated three times) and placed in an oil bath at 60 C. After stirring for 18-22 h (reaction control via TLC and GC/MS) the reaction mixture was cooled to RT, the phases separated and the organic phase filtered through a pad of Celite. The filter cake was washed with an appropriate amount of EtOAc, the volatiles were removed under reduced pressure and the crude residue was died in oil-pump vacuum. Pure product was obtained via flash column chromatography (S1O2, cyclohexane/EtOAc).Example 98: Ethyl 2-(4-(ethylthio)phenyl)thiazole-4-carboxylate (CLF-3-205) 4-(Ethylthio)benzeneboronic acid (92.5 mg, 0.508 mmol, 1.2 eq), ethyl 2-bromothiazole-4- carboxylate (100.0 mg, 0.424 mmol, 1.0 eq) and potassium phosphate (726.5 mg, 3.423 mmol, 8.1 eq) in 6.0 ml_ 1 ,4-dioxane/H20 5:1 (v/v) were reacted in presence of Pd(OAc)2 (4.8 mg, 0.021 mmol, 5 mol-%) and SPhos (17.4 mg, 0.042 mmol, 10 mol-%) for 18 h at 60 C according to general procedure C. The crude product was purified via flash column chromatography (16 g S1O2, cyclohexane/EtOAc 10:1 (v/v), column size 13 x 2 cm) to obtain the pure product as pale yellow solid.Yield: 69.9 mg (0.238 mmol, 56 %), pale yellow solid.C14H15NO2S2 [293.40 g/mol].Rf - 0.38 (cyclohexane/EtOAc = 5:1 (v/v); staining: KMnCb).1H NMR (300 MHz, CDC ): d = 8.12 (s, 1 H, Ar-H), 7.91 (d, J = 8.4 Hz, 2H, Ar-H), 7.33 (d, J = 8.3 Hz, 2H, Ar-H), 4.44 (q, J = 7.1 Hz, 2H, CH2), 3.01 (q, J = 7.3 Hz, 2H, CH2’), 1.52-1.26 (m, 6H, 2 x CH3).13C NMR (75 MHz, CDC ): d = 168.5, 161.6, 148.2, 141.0, 130.0, 127.9, 127.4, 126.8, 61.6, 26.9, 14.5, 14.2.HRMS (DI-EI): Calcd. for C14H15NO2S2: 293.0544; found: 293.0546.

Reference： [1]Patent: WO2021/19051,2021,A1 .Location in patent: Page/Page column 140-141

6
[ 100367-77-9 ]
[ 128796-39-4 ]
[ 175204-88-3 ]

Yield	Reaction Conditions	Operation in experiment
16%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride; In 1,2-dimethoxyethane; for 43h;Schlenk technique; Inert atmosphere;	General procedure: A predried 20 ml Schlenk tube with magnetic stirring bar was charged with 5 mol-% PdC Cdppf), 1.0 eq aryl halide, 1 .0-1.3 eq boronic acid and 2.1 eq cesium fluoride in anhydrous DME. The reaction mixture was degassed by evacuation and purging with Ar (repeated three times) and placed in an oil bath at 80 C. After stirring for 21 -96 h (reaction control via TLC and GC/MS) the reaction mixture was cooled to RT and filtered through a pad of Celite. The filter cake was washed with an appropriate amount of EtOAc, the volatiles were removed under reduced pressure and the crude residue was died in oil-pump vacuum. Pure product was obtained via flash column chromatography (S1O2, cycl o h exa ne/EtO Ac or toluene/EtOAc), unless otherwise stated.

Reference： [1]Patent: WO2021/19051,2021,A1 .Location in patent: Page/Page column 207-209

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Technical Information

? Acyl Group Substitution ? Alkyl Halide Occurrence ? Bouveault-Blanc Reduction ? Catalytic Hydrogenation ? Complex Metal Hydride Reductions ? Ester Cleavage ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Dihalides ? Reactions with Organometallic Reagents ? Specialized Acylation Reagents-Carbodiimides and Related Reagents ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling

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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. 100367-77-9 ] {[proInfo.proName]}

Quality Control of [ 100367-77-9 ]

Related Doc. of [ 100367-77-9 ]

Product Details of [ 100367-77-9 ]

Calculated chemistry of [ 100367-77-9 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 100367-77-9 ]

Application In Synthesis of [ 100367-77-9 ]

[ 100367-77-9 ] Synthesis Path-Upstream 1~1

[ 100367-77-9 ] Synthesis Path-Downstream 1~6

Technical Information

Related Functional Groups of [ 100367-77-9 ]

Bromides

Esters

Related Parent Nucleus of [ 100367-77-9 ]

Thiazoles

Precautionary Statements-General

Prevention

Response

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Physical hazards

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[ 100367-77-9 ]

Related Parent Nucleus of
[ 100367-77-9 ]