AG002ZXI

3038-47-9 | Benzeneacetonitrile, 2-(trifluoromethyl)-

AG002ZXI

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CAS Number	3038-47-9
Catalog Number	AG002ZXI(AGN-PC-0JLQ12)
Chemical Name	Benzeneacetonitrile, 2-(trifluoromethyl)-
EC Number	221-239-9
IUPAC Name	2-[2-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI Key	QXDCZSJGEUSERL-UHFFFAOYSA-N
MDL Number	MFCD00001903
Molecular Formula	C9H6F3N
Molecular Weight	185.1458
SMILES	FC(F)(F)C1=C(CC#N)C=CC=C1
Synonyms	2-(Trifluoromethyl)phenylacetonitrile, 3038-47-9, 2-(2-(Trifluoromethyl)phenyl)acetonitrile, 2-(Trifluoromethyl)benzyl Cyanide, o-trifluoromethylbenzyl cyanide, 2-[2-(trifluoromethyl)phenyl]acetonitrile, Benzeneacetonitrile, 2-(trifluoromethyl)-, 2-Trifluoromethylbenzyl cyanide, o-Trifluoromethylphenylacetonitrile, [2-(trifluoromethyl)phenyl]acetonitrile, QXDCZSJGEUSERL-UHFFFAOYSA-N, MFCD00001903, 2-(Trifluoromethyl)phenyl acetonitrile, (2-Trifluoromethyl-phenyl)-acetonitrile, 1-(2-(trifluoromethyl)phenyl)acetonitrile, 2-Trifluoromethylphenylacetonitrile, nc1r bxfff, 2-(2-(trifluoromethyl)phenyl)ethanenitrile, 2-[2-(trifluoromethyl)phenyl]ethanenitrile, EINECS 221-239-9, PubChem20004, ACMC-209hff, AC1L2QWK, AC1Q4INA, AC1Q4INB, AC1Q4JV2, o-trifluoromethylbenzylcyanide, KSC494Q5D, SCHEMBL195521, 2-(Cyanomethyl)benzotrifluoride, CTK3J4851, KS-00000EIZ, TIMTEC-BB SBB006647, 2-(trifluoromethyl)-benzylcyanide, DTXSID50184460, o-(Trifluoromethyl)benzyl cyanide, ZINC156999, 2-trifluoromethyl phenylacetonitrile, JRD-0675, (2-Trifluoromethylphenyl)acetonitrile, ANW-26857, SBB006647, 2-(Trifluoromethyl)benzeneacetonitrile, AKOS005207089, AS01672, MCULE-7441238333, PS-8506, RTR-033519, TRA0001932, VZ36717, 2 - (Trifluoromethyl)phenylacetonitrile, AC-25727, AJ-14840, CJ-01572, SC-22281, SY023515, ZB006506, 2-(Trifluoromethyl)phenylacetonitrile, 98%, AB0030469, DB-000125, ST2416022, TR-033519, CS-0063127, FT-0608973, ST50405200, X2667, EN300-69819, Z-3527, MFCD00001903 (97+%), I01-7371, J-017941, C9H6F3N, C9-H6-F3-N, CID76435, AR-1K6505, ZINC00156999, R2108, T2366, 2-(Trifluoromethyl)phenylacetonitrile, 98% - 5G 5g, 457-68-1,

Complexity	213
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 Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number