AG0061L9

936841-69-9 | 2-Cyano-4-(trifluoromethyl)pyridine

AG0061L9

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CAS Number	936841-69-9
Catalog Number	AG0061L9(AGN-PC-02RRX3)
Chemical Name	2-Cyano-4-(trifluoromethyl)pyridine
IUPAC Name	4-(trifluoromethyl)pyridine-2-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)5-1-2-12-6(3-5)4-11/h1-3H
InChI Key	CNUSUSDRUJDLFU-UHFFFAOYSA-N
MDL Number	MFCD09038236
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	N#CC1=NC=CC(C(F)(F)F)=C1
Synonyms	4-(Trifluoromethyl)picolinonitrile, 936841-69-9, 2-Cyano-4-(trifluoromethyl)pyridine, 4-(Trifluoromethyl)pyridine-2-carbonitrile, 2-Cyano-4-trifluoromethylpyridine, 4-Trifluoromethyl-pyridine-2-carbonitrile, 4-(Trifluoromethyl)-2-pyridinecarbonitrile, AK-86847, SCHEMBL2334808, CTK5H2797, KS-00000EYF, DTXSID00604966, trifluoromethylpyridinecarbonitrile, CNUSUSDRUJDLFU-UHFFFAOYSA-N, ACT06712, ZX-AP000268, ANW-74074, CT-575, FCH922931, MFCD09038236, PC7722, SBB088573, ZINC16159523, AKOS005071710, AB49537, AD-2052, CS-W006563, MCULE-6903388837, MP-0961, RP10542, VP12198, 4-trifluoromethylpyridine-2-carbonitrile, AC-29114, AJ-68685, AN-26214, SC-33379, AX8100495, DB-079652, TR-029318, 4CH-006476, FT-0681774, ST24032725, V1351, 841T699, 3S109971, I02-4694, J-513931, C7H3F3N2,

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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number