AG003LDL

194853-86-6 | 4-Fluoro-2-(trifluoromethyl);benzonitrile

AG003LDL

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CAS Number	194853-86-6
Catalog Number	AG003LDL(AGN-PC-0JTNS9)
Chemical Name	4-Fluoro-2-(trifluoromethyl);benzonitrile
IUPAC Name	4-fluoro-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChI Key	LCCPQUYXMFXCAC-UHFFFAOYSA-N
MDL Number	MFCD00061283
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	N#CC1=CC=C(F)C=C1C(F)(F)F
Synonyms	4-Fluoro-2-(trifluoromethyl)benzonitrile, 194853-86-6, 4-fluoro-2-trifluoromethylbenzonitrile, 2-trifluoromethyl-4-fluorobenzonitrile, 2-Cyano-5-fluorobenzotrifluoride, 4-Fluoro-2-trifluoromethyl-benzonitrile, MFCD00061283, alpha,alpha,alpha,4-Tetrafluoro-o-tolunitrile, LCCPQUYXMFXCAC-UHFFFAOYSA-N, 2-(trifluoromethyl)-4-fluorobenzonitrile, 4-fluoro-2-(trifluoromethyl) benzonitrile, Benzonitrile, 4-fluoro-2-(trifluoromethyl)-, 4-fluoro-2-(trifluoromethyl)benzenecarbonitrile, PubChem4802, 4-Fluoro-2-(trifluoromethyl)-Benzonitrile, AC1LCQU4, AC1Q4LIC, ACMC-1BYD9, KSC496C1B, SCHEMBL221383, CTK3J6110, LCCPQUYXMFXCAC-UHFFFAOYSA-, DTXSID80345507, WT139, ZINC156225, ACT00969, JRD-0095, KS-00000ED4, ANW-23663, BBL100265, CF-584, SBB062986, STL553831, TD1084, AKOS005064075, AC-2435, AN-1523, AS01697, CM13117, CS-W002289, LS10254, MCULE-5701484660, PS-8419, RL02460, RTC-060511, TF10163, TRA0001815, VZ29008, 2-trifluoromethyl-4-fluoro-benzonitrile, 4-fluoro-2-trifluoromethyl benzonitrile, 4-fluoro-2-trifluoromethylbenzo-nitrile, 4fluoro-2-(trifluoromethyl)benzonitrile, 4- fluoro-2-trifluoromethyl-benzonitrile, 4-fluoro-2-(trifluromethyl)-benzonitrile, AJ-13735, BC201404, BR-25554, CJ-01487, I345, SC-02121, ZB006254, 4-fluoro-2-(tri-fluoromethyl)benzonitrile, 4-cyano-3-(trifluoromethyl)phenyl fluoride, AB0013636, AB1009610, DB-028872, ST2418347, TC-060511, TL8001599, AM20030266, F0309, FT-0081777, FT-0618447, ST50407164, EN300-37267, B-7656, 3S210973, I01-0004, J-515353, 194853-86-6 4-fluoro-2-trifluoromethylbenzonitrile, 4-Fluoro-2-(trifluoromethyl)benzonitrile, AldrichCPR, InChI=1/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H, null, Not Available, 3-Methoxy-2-methylaniline, C8H3F4N, CID605085, ZINC00156225, ACN-050404, A1569, 4-Fluoro-2-(trifluoromethyl)benzonitrile, 98% 1g, 4-Fluoro-2-(trifluoromethyl)benzonitrile, 98% - 1G 1g, 19500-02-8,

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	P301+P312+P330
UN Code	UN 3439

Certificate of Analysis

Lot Number