AG00BF89

239087-11-7 | 2-Fluoro-4-(trifluoromethyl)phenylacetonitrile

AG00BF89

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CAS Number	239087-11-7
Catalog Number	AG00BF89(AGN-PC-0KK8MP)
Chemical Name	2-Fluoro-4-(trifluoromethyl)phenylacetonitrile
IUPAC Name	2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H5F4N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3H2
InChI Key	ZLGSJWMEAQTLFY-UHFFFAOYSA-N
MDL Number	MFCD00061179
Molecular Formula	C9H5F4N
Molecular Weight	203.1363
SMILES	FC1=C(CC#N)C=CC(=C1)C(F)(F)F
Synonyms	2-Fluoro-4-(trifluoromethyl)phenylacetonitrile, 239087-11-7, 2-(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE, 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile, Benzeneacetonitrile, 2-fluoro-4-(trifluoromethyl)-, 2-Fluoro-4-(trifluoromethyl)benzyl cyanide, 2-fluoro-4-(trifluoromethyl)-phenylacetonitrile, 2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanenitrile, PubChem4184, AC1MC7JT, AC1Q4LKA, Intermediates-ZCF02643, SCHEMBL195125, CTK4F2550, DTXSID50372168, PC4377F, ZLGSJWMEAQTLFY-UHFFFAOYSA-N, ACT12811, JRD-0056, ZINC2600096, ZX-AP012452, 1683AB, ANW-74701, CF-962, MFCD00061179, SBB064377, AKOS005063984, AC-4194, AS01973, CM13713, FCH1320520, MCULE-7062660164, RP26011, RTR-011075, 4-(Cyanomethyl)-3-fluorobenzotrifluoride, AJ-44059, AK-34287, AN-12245, AS-42744, BBV-40196354, AB0061604, AX8074847, FT-0649390, ST24040595, ST51041528, 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile, 2-fluoro-4-(trifluoromethyl)phenyl acetonitrile, 2-Fluoro-4-trifluoromethyl-phenyl acetonitrile, A21816, (2-Fluoro-4-trifluoromethyl-phenyl)-acetonitrile, C-47013, I01-4730, J-509392, [2-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile, AldrichCPR, C9H5F4N, ZINC02600096, CID2737597,

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+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3276

Certificate of Analysis

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