AG007N2K

13600-43-6 | 4-(Trifluoromethyl)nicotinonitrile

AG007N2K

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CAS Number	13600-43-6
Catalog Number	AG007N2K(AGN-PC-0KK81F)
Chemical Name	4-(Trifluoromethyl)nicotinonitrile
IUPAC Name	4-(trifluoromethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-2,4H
InChI Key	DHIRCRHQLUNYDS-UHFFFAOYSA-N
MDL Number	MFCD00057772
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	FC(C1=CC=NC=C1C#N)(F)F
Synonyms	4-(trifluoromethyl)nicotinonitrile, 13600-43-6, 3-Cyano-4-(trifluoromethyl)pyridine, 4-(trifluoromethyl)pyridine-3-carbonitrile, 3-CYANO-4-TRIFLUOROMETHYLPYRIDINE, 4-Trifluoromethyl-3-pyridinenitrile, MFCD00153107, 3-Pyridinecarbonitrile, 4-(trifluoromethyl)-, 4-Trifluoromethyl-nicotinonitrile, PubChem9232, buttpark 4357-45, AC1MC68I, KSC495C9T, SCHEMBL507128, Jsp002180, CTK3J5199, DTXSID40371569, DHIRCRHQLUNYDS-UHFFFAOYSA-N, ZINC163228, ACT10403, BCP26705, ANW-51318, CL0200, CT-573, SBB055517, WT2140, AKOS005063462, AC-2960, CM14481, FS-1073, MCULE-2093871860, RP17420, RTC-061818, VP10449, KS-00000Z76, 4-(trifluoromethyl)nicotinonitrile 95+%, 3-cyano-4-(trifluoromethyl)pyridine95+%, 4-trifluoromethyl-pyridine-3-carbonitrile, AJ-15997, AK-39639, AN-13415, BP-10957, BR-39639, CJ-02069, SC-00913, ZB007944, 4-(trifluoromethyl)-3-pyridinecarbonitrile, AB0020498, AB1004394, DB-008300, ST2418054, TC-061818, 4CH-013916, AM20050797, FT-0615544, ST50949981, V1385, 4-(trifluoromethyl)nicotinonitrile, AldrichCPR, 600C436, 13600-43-6 3-Cyano-4-(trifluoromethyl)pyridine, 3S100703, I02-0275, J-513926, 3-cyano-4-(trifluoromethyl)pyridine, 4-(trifluoromethyl)pyridine-3-carbonitrile, null, C7H3F3N2, 4-(Trifluoromethyl)nicotinonitril, ZINC00163228, ACN-026838, CID2736743, C2917, A15208, S-2288, 16567-18-3,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 2811

Certificate of Analysis

Lot Number