AG001DNX

146070-34-0 | Benzonitrile, 2-fluoro-4-(trifluoromethyl)-

AG001DNX

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CAS Number	146070-34-0
Catalog Number	AG001DNX(AGN-PC-0JS8MR)
Chemical Name	Benzonitrile, 2-fluoro-4-(trifluoromethyl)-
IUPAC Name	2-fluoro-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key	JLTYVTXTSOYXMX-UHFFFAOYSA-N
MDL Number	MFCD00061279
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	N#CC1=CC=C(C(F)(F)F)C=C1F
Synonyms	2-Fluoro-4-(trifluoromethyl)benzonitrile, 146070-34-0, 3-Fluoro-4-cyano-benzotrifluoride, 4-Cyano-3-fluorobenzotrifluoride, 2-fluoro-4-trifluoromethylbenzonitrile, Benzonitrile, 2-fluoro-4-(trifluoromethyl)-, MFCD00061279, 2-fluoro-4-trifluoromethyl-benzonitrile, alpha,alpha,alpha,2-Tetrafluoro-p-tolunitrile, JLTYVTXTSOYXMX-UHFFFAOYSA-N, AK-33311, 2-fluoro-4-(trifluoromethyl)benzenecarbonitrile, .alpha.,.alpha.,.alpha.,2-Tetrafluoro-p-tolunitrile, PubChem4798, AC1LARHB, Intermediates-ZCF02116, ACMC-209yi4, KSC180C1B, SCHEMBL495426, 3-fluoro-4-cyanobenzotrifluoride, CTK0I0110, JLTYVTXTSOYXMX-UHFFFAOYSA-, KS-00000EGH, DTXSID90333859, PC4373F, ZINC155280, ACN-S004533, ACT12402, JRD-0073, ZX-AP004474, 2-fluoro4-trifluoromethylbenzonitrile, ANW-48986, FCH931659, SBB063882, AKOS005063480, AC-4091, AM61349, AS01692, CM13112, CS-W002288, LF10933, MCULE-3837906160, PS-8422, RP24875, RTR-005772, TRA0065279, VF10049, 2-fluoro-4-(triflouromethyl)benzonitrile, AJ-13520, AN-12358, BR-33311, CC-10588, CJ-01415, I219, SC-46502, SY014545, ZB006011, 2-fluoro-4-(trifluoromethyl)-benzonitrile, AB0013552, AB1005417, AX8010791, DB-021070, TR-005772, A1521, FT-0612325, FT-0612394, ST24028002, ST50405194, TL80074038, MFCD00061279 (98%), 2-Fluoro-4-(trifluoromethyl)benzonitrile, 98%, M-2431, Z-8650, 070F340, C-07919, 3S210989, I01-3182, J-509391, InChI=1/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H, 2-Fluoro-4- benzonitrile, C8H3F4N, CID518973, ZINC00155280, ACN-038922, |A,|A,|A,2-Tetrafluoro-p-tolunitrile, 2-Fluoro-4-(trifluoromethyl)benzonitrile, 98% - 1G 1g,

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
Hazard statements	H227-H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number