2-Bromo-4-(trifluoromethyl)aniline - CAS 57946-63-1

Catalog:	BB029872
Product Name:	2-Bromo-4-(trifluoromethyl)aniline
CAS:	57946-63-1
Synonyms:	2-bromo-4-(trifluoromethyl)aniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-(trifluoromethyl)aniline
Description:	2-Bromo-4-(trifluoromethyl)aniline (CAS# 57946-63-1) is a useful research chemical.
Molecular Weight:	240.02
Molecular Formula:	C7H5BrF3N
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)Br)N
InChI:	InChI=1S/C7H5BrF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChI Key:	QKRJIXSZTKOFTD-UHFFFAOYSA-N
Boiling Point:	109-110 °C (10 mmHg)
Density:	1.697 g/cm³
MDL:	MFCD00042150
LogP:	3.63130

Publication Number	Title	Priority Date
CN-112028826-A	Synthesis method of 6- (trifluoromethyl) quinoline-8-carboxylic acid	20201012
CN-112079859-A	Polycyclic aromatic compound and application thereof in electroluminescent device	20200924
WO-2021097057-A1	5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity	20191112
WO-2020086728-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181024
CN-113347970-A	Compounds and compositions for treating conditions associated with NLRP activity	20181024

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302 (15.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.95575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.95575
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8