AG003IAR

368-77-4 | 3-(Trifluoromethyl)benzonitrile

AG003IAR

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CAS Number	368-77-4
Catalog Number	AG003IAR(AGN-PC-0JL81E)
Chemical Name	3-(Trifluoromethyl)benzonitrile
EC Number	206-711-4
IUPAC Name	3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChI Key	OGOBINRVCUWLGN-UHFFFAOYSA-N
MDL Number	MFCD00001807
Molecular Formula	C8H4F3N
Molecular Weight	171.1193
NSC Number	88314
SMILES	C1=C(C=CC=C1C(F)(F)F)C#N
UNII	Y7ZD7DK3AY
Synonyms	3-(Trifluoromethyl)benzonitrile, 368-77-4, 3-Cyanobenzotrifluoride, m-Trifluoromethylbenzonitrile, 3-Trifluoromethylbenzonitrile, Benzonitrile, 3-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-m-tolunitrile, a,a,a-trifluoro-m-tolunitrile, UNII-Y7ZD7DK3AY, alpha,alpha,alpha-Trifluoro-m-toluonitrile, EINECS 206-711-4, MFCD00001807, Y7ZD7DK3AY, 3-(Trifluoromehyl)benzonitrile, m-(Trifluoromethyl)benzonitrile, OGOBINRVCUWLGN-UHFFFAOYSA-N, 3-(trifluoromethyl)benzenecarbonitrile, .alpha.,.alpha.,.alpha.-Trifluoro-m-tolunitrile, ncr cxfff, 3-Trifluoromethylbenzonitrile (alpha,alpha,alpha-Trifluoro-m-tolunitrile), NSC88314, PubChem4828, ACMC-1CKIO, AC1L28BK, AC1Q4JR4, NCIOpen2_001287, A,A,A-trifluor-M-tolunitril, 3-trifluoromethyl-benzonitrile, KSC493C6J, SCHEMBL440276, Jsp006557, DTXSID4022026, CTK3J3164, ABLOCK AB-12-4747, 3-(CF3)-C6H4-CN, HMS1760C17, ZINC159801, ACT12430, JRD-0296, KS-00000EE8, ANW-28514, BBL011911, NSC-88314, SBB063128, STL163421, WT1797, 3-(Trifluoromethyl)benzonitrile, 99%, AKOS000119995, AC-4111, AS01717, CM13156, MCULE-1095098105, PS-8692, RP23330, RTC-010858, TF10173, TRA0042898, VZ26727, 368-77-4 3-trifluoromethylbenzonitrile, AJ-15531, AK-53632, AN-12306, BR-53632, CJ-01902, SC-03911, ZB007289, AB0011717, DB-023946, LS-184873, TC-010858, TL8002724, AM20040296, CS-0059154, FT-0613932, FT-0615554, ST24028369, ST50406739, M-6226, I01-0506, W-106582, F0001-1058, InChI=1/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4, 3- benzonitrile, C8H4F3N, C8-H4-F3-N, CID67783, AR-1K6619, c1003, ACN-055970, A1665, 3-(Trifluoromethyl)benzonitrile, 97% - 100G 100g, 4849-33-6,

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	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H317-H319-H412
Packing Group	Ⅲ
Precautionary statements	P210-P273-P280-P305+P351+P338
Signal Words	warning
UN Code	UN 3276

Certificate of Analysis

Lot Number