AG003KOM

69411-68-3 | 3-fluoro-4-(trifluoromethyl)aniline

AG003KOM

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CAS Number	69411-68-3
Catalog Number	AG003KOM(AGN-PC-0KK7FU)
Chemical Name	3-fluoro-4-(trifluoromethyl)aniline
IUPAC Name	3-fluoro-4-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5F4N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
InChI Key	CRRVZRDISHOQQL-UHFFFAOYSA-N
MDL Number	MFCD00190120
Molecular Formula	C7H5F4N
Molecular Weight	179.1149
SMILES	NC1=CC=C(C(F)(F)F)C(F)=C1
Synonyms	4-Amino-2-fluorobenzotrifluoride, 69411-68-3, 3-fluoro-4-(trifluoromethyl)aniline, 3-fluoro-4-trifluoromethylaniline, 2-FLUORO-4-AMINO BENZOTRIFLUORIDE, MFCD00190120, Benzenamine, 3-fluoro-4-(trifluoromethyl)-, 3-fluoro-4-trifluoromethyl-phenylamine, 3-fluoro-4-(trifluoromethyl)phenylamine, PubChem1631, AC1MC4ED, SCHEMBL378627, 4-amino,2-fluorobenzotrifluoride, DTXSID90371019, CRRVZRDISHOQQL-UHFFFAOYSA-N, WT111, 3-fluoro-4-trifluoromethyl aniline, ACT13150, KS-00000F4P, ZINC2556414, CL8427, PC3667, SBB089509, 3-fluoro-4-(trifluoromethyl)-aniline, AKOS005254600, AC-2329, AM61641, AS04096, CM11490, LF10042, LS10428, MCULE-3303615712, PS-8546, RP24030, VZ28204, 3-fluoro-4-(trifluoromethyl)benzenamine, AJ-39888, AK-26266, AN-14043, I220, SC-06310, 3-Fluoro-4-(trifluoromethyl)aniline, 97%, AB0013553, ST2405065, TL8004864, 4CH-002524, A9183, CS-0007571, FT-0601461, ST50407440, 4-Amino-2-fluorobenzotrifluoride, AldrichCPR, S-8152, 20741-EP2281563A1, 20741-EP2314585A1, 69411-68-3 4-amino-2-fluorobenzotrifluoride, 411A683, I01-4944, J-514330, Z2679906815, C7H5F4N, ZINC02556414, ACN-051285, CID2735914, A2469, C2439, 3-Fluoro-4-(trifluoromethyl)aniline, 97% 1g, 2-Fluoro-4-amino benzotrifluoride, 98% - 1G 1g, 443-41-4,

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-H311-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P312
UN Code	UN 2811

Certificate of Analysis

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