AG002Z0C

2965-07-3 | Benzenamine, 3,4-bis(trifluoromethyl)-

AG002Z0C

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CAS Number	2965-07-3
Catalog Number	AG002Z0C(AGN-PC-0K6NWN)
Chemical Name	Benzenamine, 3,4-bis(trifluoromethyl)-
IUPAC Name	3,4-bis(trifluoromethyl)aniline
InChI	InChI=1S/C8H5F6N/c9-7(10,11)5-2-1-4(15)3-6(5)8(12,13)14/h1-3H,15H2
InChI Key	PSDVFXQQNBDDJC-UHFFFAOYSA-N
MDL Number	MFCD01312619
Molecular Formula	C8H5F6N
Molecular Weight	229.1224
SMILES	NC1=CC=C(C(F)(F)F)C(C(F)(F)F)=C1
Synonyms	3,4-bis(trifluoromethyl)aniline, 2965-07-3, PubChem8356, Enamine_004285, AC1LU70I, 3,4-bistrifluoromethylaniline, SCHEMBL827884, 3,4-bistrifluoromethyl-aniline, CTK7D6189, DTXSID30364283, PSDVFXQQNBDDJC-UHFFFAOYSA-N, HMS1406C17, 3,4-bis(trifluoromethyl)phenylamine, KS-00003R4Z, ZINC1516344, MFCD01312619, SBB097407, AKOS001073822, AS05282, Benzenamine,3,4-bis(trifluoromethyl)-, CM11263, LS10211, MCULE-6469266300, PS-7735, Benzenamine, 3,4-bis(trifluoromethyl)-, NCGC00322446-01, AJ-26505, SC-65331, K-0031, AB01317720-02, Z56862386, 3,4-Bis(trifluoromethoxy)aniline, ZINC01516344, CID1548579,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.033g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.125g/mol
Monoisotopic Mass	229.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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