AG003MPC

216431-85-5 | 6-(Trifluoromethyl)nicotinonitrile

AG003MPC

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CAS Number	216431-85-5
Catalog Number	AG003MPC(AGN-PC-0KKYBA)
Chemical Name	6-(Trifluoromethyl)nicotinonitrile
IUPAC Name	6-(trifluoromethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H
InChI Key	ZBLULFJVRGVQAW-UHFFFAOYSA-N
MDL Number	MFCD03001347
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	N#CC1=CN=C(C(F)(F)F)C=C1
Synonyms	6-(Trifluoromethyl)nicotinonitrile, 216431-85-5, 5-cyano-2-(trifluoromethyl)pyridine, 6-(trifluoromethyl)pyridine-3-carbonitrile, 6-Trifluoromethyl-nicotinonitrile, 3-Pyridinecarbonitrile, 6-(trifluoromethyl)-, 3-Cyano-6-(trifluoromethyl)pyridine, AC1MCRSU, PubChem14525, ACMC-209fmx, KSC495E8B, SCHEMBL524167, 6-Trifluoromethylnicotinonitrile, Jsp004398, CTK3J5280, 2-trifluoromethyl-5-cyanopyridine, 3-cyano-6-trifluoromethylpyridine, DTXSID50380561, ZBLULFJVRGVQAW-UHFFFAOYSA-N, ZINC154407, ACN-S003133, ACT03099, BCP21706, CS-D0795, KS-00000ZR4, ANW-24535, CT-532, GEO-02389, MFCD03001347, SBB055624, WT2137, AKOS005063491, AB12807, AC-2450, CM10983, FS-1207, MCULE-2140681109, QC-4385, RP02703, RTC-040285, TRA0094387, VP15169, AJ-13210, AK-28360, AN-13963, BR-28360, CJ-01333, SC-21115, SY001241, ZB005771, 6-(Trifluoromethyl)-3-pyridinecarbonitrile, AB0011454, AB1001179, DB-080979, TC-040285, 4CH-003056, A4650, FT-0620832, ST24029601, ST50408279, M-2777, MFCD03001347 (97+%), 431T855, 6-(Trifluoromethyl)pyridine-3-carbonitrile, 97%, 216431-85-5 3-Cyano-6-(trifluoromethyl)pyridine, 3S102244, I01-7543, I02-0620, W-200223, 6- nicotinonitrile, 2-Bromo-5-fluorobenzonitrile, C7H3F3N2, ZINC00154407, ACN-028380, CID2777554, C2698, C2913, 5-Cyano-2-(trifluoromethyl)pyridine, 97% - 1G 1g, 57381-39-2,

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-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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