AG003MQK

240800-45-7 | 5-Fluoro-2-(trifluoroMethyl)benzonitrile

AG003MQK

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CAS Number	240800-45-7
Catalog Number	AG003MQK(AGN-PC-0KK8LH)
Chemical Name	5-Fluoro-2-(trifluoroMethyl)benzonitrile
IUPAC Name	5-fluoro-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H
InChI Key	SQAZPEKSXOYPDX-UHFFFAOYSA-N
MDL Number	MFCD00236281
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	N#CC1=CC(F)=CC=C1C(F)(F)F
Synonyms	5-fluoro-2-(trifluoromethyl)benzonitrile, 240800-45-7, 2-Cyano-4-fluorobenzotrifluoride, 5-fluoro-2-trifluoromethylbenzonitrile, MFCD00236281, 5-FLUORO-2-TRIFLUROMETHYLBENZONITRILE, Benzonitrile, 5-fluoro-2-(trifluoromethyl)-, 5-fluoro-2-(trifluoromethyl)benzenecarbonitrile, PubChem14791, AC1MC7H9, KSC495G0J, SCHEMBL325632, CTK3J5304, DTXSID20372135, SQAZPEKSXOYPDX-UHFFFAOYSA-N, JRD-0748, KS-00000EF1, ZINC2560175, ANW-25319, CL8228, SBB090887, WT1799, AKOS006228409, AM82838, AS02763, CS-W015970, MCULE-4129920856, PS-8423, RTR-011140, VZ35651, 5-fluoro-2-trifluoromethyl-benzonitrile, TRA-0192702, 5-fluoro-2-trifluoromethyl) benzonitrile, AJ-40493, BR-34299, CJ-09527, SC-65365, ST082985, SY009038, 3-cyano-4-trifluoromethyl-1-fluorobenzene, AB0031265, ST2406246, TR-011140, FT-0676159, X4282, 5-Fluoro-2-(trifluoromethyl)benzonitrile 97%, S-2137, MFCD00236281 (97+%), 5-fluoranyl-2-(trifluoromethyl)benzenecarbonitrile, 5-FLUORO-2-(TRIFLUOROMETHYL) BENZONITRILE, A817074, 240800-45-7 5-fluoro-2-trifluoromethylbenzonitrile, 5-Fluoro-2-(trifluoromethyl)benzonitrile, AldrichCPR, I01-15277, C8H3F4N, ZINC02560175, CID2737551, ALPHA,ALPHA,ALPHA,5-TETRAFLUORO-O-TOLUNITRILE, 231953-38-1,

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	H301+H331-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338-P311
UN Code	UN 3276

Certificate of Analysis

Lot Number