AG002S6I

261951-81-9 | Benzonitrile, 3-fluoro-2-(trifluoromethyl)-

AG002S6I

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CAS Number	261951-81-9
Catalog Number	AG002S6I(AGN-PC-0KKWEG)
Chemical Name	Benzonitrile, 3-fluoro-2-(trifluoromethyl)-
IUPAC Name	3-fluoro-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3H
InChI Key	ZLFIVXFFYDWCNG-UHFFFAOYSA-N
MDL Number	MFCD01631566
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	FC1=CC=CC(C#N)=C1C(F)(F)F
Synonyms	3-fluoro-2-(trifluoromethyl)benzonitrile, 261951-81-9, 3-Fluoro-2-trifluoromethylbenzonitrile, Benzonitrile, 3-fluoro-2-(trifluoromethyl)-, 2-Cyano-6-fluorobenzotrifluoride, MFCD01631566, AK-98183, AC1MCOXH, ACMC-209gpf, SCHEMBL1994873, CTK4F7355, KS-00000FCN, DTXSID90379217, ZLFIVXFFYDWCNG-UHFFFAOYSA-N, JRD-0903, ZINC2382259, ZX-AP000361, ANW-25921, FCH918150, Fluoro-2-trifluoromethyl-benzonitrile, PC0390, SBB090888, AKOS006228797, PS-8425, 3-Fluoro-2-trifluoromethyl benzonitrile, 3-Fluoro-2-trifluoromethyl-benzonitrile, AJ-34806, CJ-08135, SC-73005, AX8010793, DB-008303, TR-036300, 4CH-002439, FT-0676163, X4278, 3-fluoro-2-(trifluoromethyl)benzenecarbonitrile, Y-9337, I01-11756, C8H3F4N, ZINC02382259, CID2774783,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.113g/mol
Monoisotopic Mass	189.02g/mol
Rotatable Bond Count	0
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 3439

Certificate of Analysis

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