2-Bromo-4-(trifluoromethyl)thiazole - CAS 41731-39-9

Catalog:	BB024944
Product Name:	2-Bromo-4-(trifluoromethyl)thiazole
CAS:	41731-39-9
Synonyms:	2-bromo-4-(trifluoromethyl)thiazole; 2-bromo-4-(trifluoromethyl)-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-(trifluoromethyl)-1,3-thiazole
Description:	2-Bromo-4-(trifluoromethyl)thiazole (CAS# 41731-39-9) is a useful research chemical.
Molecular Weight:	232.02
Molecular Formula:	C4HBrF3NS
Canonical SMILES:	C1=C(N=C(S1)Br)C(F)(F)F
InChI:	InChI=1S/C4HBrF3NS/c5-3-9-2(1-10-3)4(6,7)8/h1H
InChI Key:	NZNVGMVYUYNBOM-UHFFFAOYSA-N
MDL:	MFCD14702712
LogP:	2.92440

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Related Functional Groups

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[1072145-33-5]
ERRα antagonist-1
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[937598-26-0]
Ethyl 2-(butylamino)-4-(chloromethyl)-1,3-thiazole-5-carboxylate
[886497-64-9]
Ethyl 2-(butylamino)-4-methylthiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9