AG002N1Y

2338-75-2 | Benzeneacetonitrile, 4-(trifluoromethyl)-

AG002N1Y

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CAS Number	2338-75-2
Catalog Number	AG002N1Y(AGN-PC-0JLPB5)
Chemical Name	Benzeneacetonitrile, 4-(trifluoromethyl)-
EC Number	219-052-2
IUPAC Name	2-[4-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChI Key	QNKOCFJZJWOXDE-UHFFFAOYSA-N
MDL Number	MFCD00001921
Molecular Formula	C9H6F3N
Molecular Weight	185.1458
SMILES	FC(F)(F)C1=CC=C(CC#N)C=C1
Synonyms	4-(Trifluoromethyl)phenylacetonitrile, 2338-75-2, 2-(4-(trifluoromethyl)phenyl)acetonitrile, 2-[4-(trifluoromethyl)phenyl]acetonitrile, 4-(Trifluoromethyl)benzyl Cyanide, 4-Trifluoromethyl phenyl acetonitrile, p-Trifluoromethylbenzyl cyanide, Benzeneacetonitrile, 4-(trifluoromethyl)-, (4-trifluoromethyl-phenyl)-acetonitrile, 4-trifluoromethylbenzyl cyanide, p-Trifluoromethylphenylacetonitrile, QNKOCFJZJWOXDE-UHFFFAOYSA-N, MFCD00001921, [4-(Trifluoromethyl)phenyl]acetonitrile, 4-TRIFLUOROMETHYLPHENYLACETONITRILE, nc1r dxfff, 2-[4-(trifluoromethyl)phenyl]ethanenitrile, EINECS 219-052-2, PubChem4230, AC1L2OLC, AC1Q4JOV, ACMC-209g2w, AC1Q4J3F, p-trifluoromethylbenzylcyanide, 4-trifluoromethylbenzylcyanide, KSC205S8D, SCHEMBL246959, 4-(Cyanomethyl)benzotrifluoride, 4-(trifluoromethyl)benzylcyanide, CTK1A5981, KS-00000FOD, TIMTEC-BB SBB006690, DTXSID20177940, ATTERCOP-CHM AT109927, HMS1734O04, 4-trifluoromethyl phenylacetonitrile, 4-trifluoromethyl-phenylacetonitrile, 4-trifluoromethylphenyl-acetonitrile, ACT01165, JRD-0268, ZINC1841309, ANW-25110, CL8795, CT-168, SBB006690, WT1758, WT2090, 4-(Trifluoromethyl)benzeneacetonitrile, 4-(Trifluoromethyl)-phenylacetonitrile, 4-(trifluoromethyl)phenyl acetonitrile, AKOS001174240, AB00179, AC-9796, AN-6198, AS01985, CS-W004692, FS-1143, MCULE-8179845973, RP24527, RTR-033520, TRA0002042, 38-75-2 4-trifluoromethylbenzyl cyanide, AJ-31784, AK-25631, BC204306, BR-25631, CJ-07111, CJ-29999, SC-46450, SY013565, U807, 2-(4-trifluoromethyl-phenyl)-acetonitrile, 2-(4-(trifluoromethyl)phenyl)-acetonitrile, 4-(Trifluoromethyl)phenylacetonitrile, 98%, AB0019475, DB-000207, TR-033520, 2338-75-2 4-trifluoromethylbenzyl cyanide, A4911, FT-0616936, ST24028859, ST50405287, MFCD00001921 (98%), M-5633, I01-0657, W-107404, C9H6F3N, C9-H6-F3-N, CID75359, AR-1K6509, ZINC01841309, ACN-055972, R2109, T2368, 4-(Trifluoromethyl)phenylacetonitrile, 98% - 1G 1g, 45867-11-6,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.149g/mol
Monoisotopic Mass	185.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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