AG001M06

149793-69-1 | Benzonitrile, 3-fluoro-5-(trifluoromethyl)-

AG001M06

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CAS Number	149793-69-1
Catalog Number	AG001M06(AGN-PC-0JS8NU)
Chemical Name	Benzonitrile, 3-fluoro-5-(trifluoromethyl)-
IUPAC Name	3-fluoro-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key	AYNUKEDZAYOEGG-UHFFFAOYSA-N
MDL Number	MFCD00061282
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	C1=C(C=C(C=C1F)C(F)(F)F)C#N
Synonyms	3-Fluoro-5-(trifluoromethyl)benzonitrile, 149793-69-1, 3-fluoro-5-trifluoromethylbenzonitrile, 3-Cyano-5-fluorobenzotrifluoride, MFCD00061282, 3-fluoro-5-trifluoromethyl-benzonitrile, Benzonitrile, 3-fluoro-5-(trifluoromethyl)-, AYNUKEDZAYOEGG-UHFFFAOYSA-N, 3-Fluoro-5(trifluoromethyl)benzonitrile, 3-fluoro-5-(trifluoromethyl) benzonitrile, alpha,alpha,alpha,5-Tetrafluoro-m-tolunitrile, 3-fluoro-5-(trifluoromethyl)benzenecarbonitrile, .alpha.,.alpha.,.alpha.,5-Tetrafluoro-m-tolunitrile, PubChem2620, AC1LARL5, AC1Q4LIM, Intermediates-ZCF02144, ACMC-1C73O, KSC490Q5D, SCHEMBL628008, CTK3J0851, KS-00000FCP, DTXSID30333878, ACT12393, JRD-0545, ZINC2169770, ANW-21234, BBL100270, SBB063632, STL553836, 3-trifluoromethyl-5-fluorobenzonitrile, AKOS005259224, AC-4085, AS01696, CM13116, CS-W007956, MCULE-7368038339, PF10672, PS-8420, RP24877, RTR-006088, VZ26844, 3-Fluoro-5-trifluoromethyl benzonitrile, AJ-34009, AK-33387, AN-12352, BR-33387, CJ-07920, SC-16667, SY014544, 3-fluoro-5-(trifluoromethyl)-benzonitrile, 3-Fluoro-5-(trifluoromethyl)benzonitrile ., AB0031263, DB-008306, TR-006088, AM20060080, F0994, FT-0085027, FT-0615703, ST24028523, ST50407090, TL80074075, X4280, MFCD00061282 (95%), 5-fluoro-3-(trifluoromethyl)benzenecarbonitrile, A-3185, I01-2363, J-512514, Z1741957044, Not Available, C8H3F4N, CID519037, ZINC02169770, ACN-050416, A1527,

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
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

Lot Number