AG00AKAX

172215-91-7 | 3-BroMo-4-(trifluoroMethyl)aniline

AG00AKAX

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CAS Number	172215-91-7
Catalog Number	AG00AKAX(AGN-PC-01YVO8)
Chemical Name	3-BroMo-4-(trifluoroMethyl)aniline
IUPAC Name	3-bromo-4-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5BrF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
InChI Key	VMERAUXEEDONDK-UHFFFAOYSA-N
MDL Number	MFCD12828280
Molecular Formula	C7H5BrF3N
Molecular Weight	240.0205
SMILES	NC1=CC=C(C(F)(F)F)C(Br)=C1
Synonyms	3-Bromo-4-(trifluoromethyl)aniline, 172215-91-7, Benzenamine, 3-bromo-4-(trifluoromethyl)-, 3-BROMO-4-TRIFLUOROMETHYLANILINE, Intermediates-ZCF02279, SCHEMBL1039295, CTK8B5199, KS-00000OWA, DTXSID80595126, ANW-47929, CL8898, MFCD12828280, ZINC59615365, AKOS007930806, 4-AMINO-2-BROMOBENZOTRIFLUORIDE, AS05308, CM11337, CS-W006101, GS-3882, MCULE-1547782406, WT82351, AK-63368, BR-63368, CJ-20871, AB0022814, AJ-113542, TC-136674, 4CH-010641, ST24022727, W3749, S-4897, Z1741977959, C7H5BrF3N,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.956g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.023g/mol
Monoisotopic Mass	238.956g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 2810

Certificate of Analysis

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