AG00BC2A

220239-65-6 | 4-Fluoro-3-(trifluoromethyl)phenylacetonitrile

AG00BC2A

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CAS Number	220239-65-6
Catalog Number	AG00BC2A(AGN-PC-0KK8MV)
Chemical Name	4-Fluoro-3-(trifluoromethyl)phenylacetonitrile
IUPAC Name	2-[4-fluoro-3-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H5F4N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3H2
InChI Key	ZWNJWEIQLXEBAM-UHFFFAOYSA-N
MDL Number	MFCD00061183
Molecular Formula	C9H5F4N
Molecular Weight	203.1363
SMILES	N#CCC1=CC=C(F)C(C(F)(F)F)=C1
Synonyms	4-Fluoro-3-(trifluoromethyl)phenylacetonitrile, 220239-65-6, 2-[4-fluoro-3-(trifluoromethyl)phenyl]acetonitrile, 3-Trifluoromethyl-4-fluorobenzyl cyanide, Benzeneacetonitrile, 4-fluoro-3-(trifluoromethyl)-, AK-34157, 4-fluoro-3-(trifluoromethyl)phenyl-acetonitrile, 2-(4-fluoro-3-(trifluoromethyl)phenyl)acetonitrile, 2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanenitrile, AC1Q4MDE, AC1MC7K5, KSC496C3B, SCHEMBL623982, CTK3J6130, KS-00000KGC, DTXSID60372174, PC4377M, JRD-0594, ZINC2600100, ZX-AP004657, 1151AB, ANW-44443, CL8791, MFCD00061183, SBB093071, AKOS015854282, 3-Trifluoromethyl-4-fluorobenzylcyanide, AS02359, FCH1320929, MCULE-8059135810, PS-8166, RTR-010354, AJ-44062, AN-29565, CJ-10512, AB0061588, AX8032708, ST2405792, TR-010354, FT-0676184, ST51041533, A21912, 239F656, 4-FLUORO-3-(TRIFLUOROMETHYL)BENZYL CYANIDE, A815843, C-47016, J-515331, I14-29707, 2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanenitrile, 4'-FLUORO-3'-TRIFLUOROMETHYL-BENZENEACETONITRILE, 3-Trifluoromethyl-4-fluorobenzyl cyanide;3-Trifluoromethyl-4-Fluorobenz, C9H5F4N, ZINC02600100, 4-FLUORO-3- PHENYLACETONITRILE, ACN-052075, CID2737603, 4-fluoro-3-trifluoromethylbenzyl cyanide, 4-fluoro-3-(trifluoromethyl)phenylacetinitrile, 4-Fluoro-2-(trifluoromethyl)phenylacetonitrile,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.036g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.14g/mol
Monoisotopic Mass	203.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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