AG00IJES

95727-86-9 | 2-​Pyridinecarbonitrile​, 5-​(trifluoromethyl)​-

AG00IJES

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CAS Number	95727-86-9
Catalog Number	AG00IJES(AGN-PC-0K6I3U)
Chemical Name	2-​Pyridinecarbonitrile​, 5-​(trifluoromethyl)​-
IUPAC Name	5-(trifluoromethyl)pyridine-2-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)5-1-2-6(3-11)12-4-5/h1-2,4H
InChI Key	WDSCJULUXJSJOX-UHFFFAOYSA-N
MDL Number	MFCD01001119
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	C(F)(F)(F)c1ccc(nc1)C#N
Synonyms	95727-86-9, 5-(trifluoromethyl)picolinonitrile, 5-(trifluoromethyl)pyridine-2-carbonitrile, 2-Cyano-5-(trifluoromethyl)pyridine, 2-Cyano-5-trifluoromethylpyridine, 5-(trifluoromethyl)-2-pyridinecarbonitrile, 5-trifluoromethyl-pyridine-2-carbonitrile, 2-PYRIDINECARBONITRILE, 5-(TRIFLUOROMETHYL)-, MFCD01001119, 5-Trifluoromethylpyridine-2-carbonitrile, AC1LTLSX, PubChem17518, SCHEMBL2553743, CTK5H8135, DTXSID80364197, WDSCJULUXJSJOX-UHFFFAOYSA-N, 5-(Trifluoromethyl);picolinonitrile, ZINC1463603, ANW-48929, SBB088574, AKOS006223896, AB07941, AS-5476, CS-W019550, RP02707, VP11194, AC-28220, AJ-26246, AK-24956, AM804616, AN-34854, BR-24956, CJ-05067, SC-29556, SY015711, AB0001796, AB1010413, ST2411683, TC-068625, C2287, FT-0648112, W9772, KS-00000498, MFCD01001119 (95%), S-6645, A845445, I02-2229, I02-2538, J-516454, 2-cyano-5-(trifluoromethyl)pyridine, 5-(trifluoromethyl)picolinonitrile, 5-(Trifluoromethyl)-2-pyridinecarbonitrile;5-(Trifluoromethyl)pyridine-2-carbonitrile, -acetonitrile, C7H3F3N2, ACN-039011, CID1535372, 2-(5-(Trifluoromethyl)pyridin-2-yl)acetonitrile, (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.025g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.11g/mol
Monoisotopic Mass	172.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code	UN 3439

Certificate of Analysis

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