AG003F5K

447-60-9 | 2-(Trifluoromethyl)benzonitrile

AG003F5K

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CAS Number	447-60-9
Catalog Number	AG003F5K(AGN-PC-0JL865)
Chemical Name	2-(Trifluoromethyl)benzonitrile
EC Number	207-184-3
IUPAC Name	2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChI Key	SOZGHDCEWOLLHV-UHFFFAOYSA-N
MDL Number	MFCD00001791
Molecular Formula	C8H4F3N
Molecular Weight	171.1193
NSC Number	88312
SMILES	C1=CC=CC(=C1C#N)C(F)(F)F
UNII	S2CA842543
Synonyms	2-(Trifluoromethyl)benzonitrile, 447-60-9, 2-Cyanobenzotrifluoride, o-Trifluoromethylbenzonitrile, 2-Trifluoromethylbenzonitrile, a,a,a-trifluoro-o-tolunitrile, alpha,alpha,alpha-Trifluoro-o-tolunitrile, UNII-S2CA842543, 2-(Trifluoromethyl)-benzonitrile, Benzonitrile, 2-(trifluoromethyl)-, EINECS 207-184-3, MFCD00001791, alpha,alpha,alpha-Trifluoro-2-toluonitrile, Benzonitrile, (trifluoromethyl)-, SOZGHDCEWOLLHV-UHFFFAOYSA-N, 2-(trifluoromethyl)benzenecarbonitrile, S2CA842543, .alpha.,.alpha.,.alpha.-Trifluoro-o-tolunitrile, ncr bxfff, 2-Trifluoromethylbenzonitrile (alpha,alpha,alpha-Trifluoro-o-tolunitrile), NSC88312, PubChem4827, ACMC-209jzv, AC1Q4JUI, AC1L28QW, 2-trifluoromethyl-benzonitrile, 2-trifluoromethylbenzo-nitrile, KSC490Q7B, SCHEMBL103847, o-(trifluoromethyl)benzonitrile, 6-(trifluoromethyl)benzonitrile, DTXSID3022031, CTK3J0870, KS-00000EEC, WT193, ZINC157054, ACT12429, JRD-0228, 2-(Trifluoromethyl)benzonitrile 98%, ANW-30185, LABOTEST-BB LT00848064, LABOTEST-BB LT03496239, NSC-88312, SBB058336, 2-(Trifluoromethyl)benzonitrile, 98%, AKOS001435058, AC-4110, AN-2631, AS01716, CM13155, CS-W017661, MCULE-2335600663, PF10697, PS-8693, RTR-033178, TRA0003761, VZ24461, AJ-14860, AK-35202, BR-35202, CJ-01581, K923, K991, ZB006534, 447-60-9 2-(trifluoromethyl)benzonitrile, AB0014436, DB-024047, LS-184876, o-Tolunitrile, alpha,alpha,alpha-trifluoro-, ST2416280, TR-033178, AM20060076, FT-0081783, FT-0608960, ST50406499, TL80074085, BETA,BETA,BETA-TRIFLUORO-O-TOLUNITRILE, Q-9314, I01-1377, W-106177, C8H4F3N, C10H9NO4S, C8-H4-F3-N, CID67972, 1-Amino-2-naphthol-4-sulfonic acid, AR-1K6615, c1004, A7104, 2-(Trifluoromethyl)benzonitrile, 98% - 10G 10g, 116-63-2, 4835-23-8,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.122g/mol
Monoisotopic Mass	171.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P210-P261-P280-P305+P351+P338-P405-P501
Signal Words	warning
UN Code	UN 3276

Certificate of Analysis

Lot Number