AG003IWH

454-67-1 | 3-Amino-5-fluorobenzotrifluoride

AG003IWH

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CAS Number	454-67-1
Catalog Number	AG003IWH(AGN-PC-0KK7FT)
Chemical Name	3-Amino-5-fluorobenzotrifluoride
IUPAC Name	3-fluoro-5-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChI Key	WQKQODZOQAFYPR-UHFFFAOYSA-N
MDL Number	MFCD00061315
Molecular Formula	C7H5F4N
Molecular Weight	179.1149
SMILES	FC(F)(F)C1=CC(F)=CC(N)=C1
Synonyms	3-Amino-5-fluorobenzotrifluoride, 454-67-1, 3-fluoro-5-(trifluoromethyl)aniline, 3-fluoro-5-trifluoromethylaniline, 3-Fluoro-5-trifluoromethyl-phenylamine, 3-fluoro-5-trifluorobenzenamine, 3-Fluoro-5-trifluoromethyl-aniline, 5-fluoro-3-(trifluoromethyl)aniline, MFCD00061315, Benzenamine, 3-fluoro-5-(trifluoromethyl)-, 3-fluoro-5-(trifluoromethyl)phenylamine, PubChem1541, AC1MC4EA, SCHEMBL131491, CTK7D5856, DTXSID30371018, WQKQODZOQAFYPR-UHFFFAOYSA-N, WT085, ACT11501, JRD-0038, KS-00000F4O, ZINC4240285, CL8428, PC1075, SBB028382, 3-Fluoro-5-(trifluoromethyl)-aniline, AKOS006229593, AC-3697, AN-6305, AS04097, CM11491, CS-W017289, LF10033, LS10448, MCULE-3754555394, PS-8551, QC-9015, RP24027, 3-amino-5-fluoro-trifluoromethylbenzene, 3-AMINO-5-FLUORO BENZOTRIFLUORIDE, AJ-49260, AK-35233, BC218962, BR-35233, P784, SC-04641, SY038241, AB0017206, TC-050949, TL8003154, 454-67-1 3-amino-5-fluorobenzotrifluoride, AM20060175, FT-0615003, ST24032584, ST50827949, MFCD00061315 (95%), 3-FLUORO-5-(TRIFLUOROMETHYL)BENZENAMINE, A19767, C-5585, 3-Fluoro-5-(trifluoromethyl)aniline, AldrichCPR, 454A671, J-511650, C7H5F4N, ZINC04240285, ACN-055890, CID2735913,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.118g/mol
Monoisotopic Mass	179.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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