AG00BEEJ

268733-18-2 | 4-Bromo-3,5-bis(trifluoromethyl)aniline

AG00BEEJ

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CAS Number	268733-18-2
Catalog Number	AG00BEEJ(AGN-PC-0LW7YP)
Chemical Name	4-Bromo-3,5-bis(trifluoromethyl)aniline
IUPAC Name	4-bromo-3,5-bis(trifluoromethyl)aniline
InChI	InChI=1S/C8H4BrF6N/c9-6-4(7(10,11)12)1-3(16)2-5(6)8(13,14)15/h1-2H,16H2
InChI Key	ZMVAVUAHKPGYTF-UHFFFAOYSA-N
MDL Number	MFCD04973750
Molecular Formula	C8H4BrF6N
Molecular Weight	308.0185
SMILES	NC1=CC(C(F)(F)F)=C(Br)C(C(F)(F)F)=C1
Synonyms	4-Bromo-3,5-bis(trifluoromethyl)aniline, 268733-18-2, 3,5-bis(trifluoromethyl)-4-bromoaniline, AK-73101, SCHEMBL3115697, CTK7D5622, DTXSID80426941, ZMVAVUAHKPGYTF-UHFFFAOYSA-N, ZINC2541322, ANW-44889, CK1173, MFCD04973750, AKOS015835306, AS00318, MCULE-8117861099, RTR-012105, 4-bromo-3,5-bis-trifluoromethyl aniline, AJ-39143, AS-18845, BR-73101, AB0030665, AX8005602, DB-067693, ST2405616, TR-006659, 3,5-bis(trifluoromethyl)-4-bromophenylamine, 4-bromo-3,5-bis(trifluoromethyl)benzenamine, 4CH-018072, CS-0060170, FT-0701339, FT-0736068, ST51041802, X2878, Not Available, C8H4BrF6N, 5(4)-Iodo-4(5)-methyl-imidazole, ZINC02541322, CID7018041, 15813-07-7,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.943g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	308.021g/mol
Monoisotopic Mass	306.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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