4-Bromo-2-(trifluoromethyl)thiazole - CAS 141761-77-5

Catalog:	BB009230
Product Name:	4-Bromo-2-(trifluoromethyl)thiazole
CAS:	141761-77-5
Synonyms:	4-bromo-2-(trifluoromethyl)thiazole; 4-bromo-2-(trifluoromethyl)-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethyl)-1,3-thiazole
Description:	4-Bromo-2-(trifluoromethyl)thiazole (CAS# 141761-77-5) is a useful research chemical.
Molecular Weight:	232.02
Molecular Formula:	C4HBrF3NS
Canonical SMILES:	C1=C(N=C(S1)C(F)(F)F)Br
InChI:	InChI=1S/C4HBrF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChI Key:	JWIFAKPFCFVBQD-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.92440

Publication Number	Title	Priority Date
AU-2017340602-A1	Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators	20161006
EP-3523311-A1	Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators	20161006
JP-2019530695-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -ones and their use as GLUN2B receptor modulators	20161006
KR-20190056435-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -one and its use as a GLUN2B receptor modulator	20161006
TW-201819376-A	Substituted 1H-imidazo[4,5-b]pyridine-2(3H)-one and its use as a GLUN2B receptor modulator	20161006

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Related Functional Groups

Oxazole/Thiazole

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ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
[132089-32-8]
Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate
[937598-26-0]
Ethyl 2-(butylamino)-4-(chloromethyl)-1,3-thiazole-5-carboxylate
[886497-64-9]
Ethyl 2-(butylamino)-4-methylthiazole-5-carboxylate

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.89652
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.89652
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9