AG003MM4

349-94-0 | 5-chloro-2-trifluoromethylpyridine

AG003MM4

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CAS Number	349-94-0
Catalog Number	AG003MM4(AGN-PC-00MY1O)
Chemical Name	5-chloro-2-trifluoromethylpyridine
IUPAC Name	5-chloro-2-(trifluoromethyl)pyridine
InChI	InChI=1S/C6H3ClF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChI Key	JRUFUZIAZUPVQK-UHFFFAOYSA-N
MDL Number	MFCD06657685
Molecular Formula	C6H3ClF3N
Molecular Weight	181.5429
SMILES	ClC1=CN=C(C=C1)C(F)(F)F
Synonyms	5-chloro-2-(trifluoromethyl)pyridine, 349-94-0, 5-Chloro-2-trifluoromethylpyridine, AK-34795, Pyridine, 5-chloro-2-(trifluoromethyl)-, 5-Chloro-2-trifluoromethyl pyridine, ACMC-1CQJP, SCHEMBL2129781, CTK6H1515, DTXSID80543147, JRUFUZIAZUPVQK-UHFFFAOYSA-N, 3-chloro-6-trifluoromethyl pyridine, ACT03479, KS-00000F3U, ZX-AP011960, ANW-50888, BBL102277, CL8880, FCH932880, MFCD06657685, PC8068, RW3571, SBB054337, STL556076, ZINC15440742, 2-(Trifluoromethyl)-5-chloropyridine, 3-Chloro-6-(trifluoromethyl)pyridine, 5-chloro-2-(trifluoromethyl) pyridine, 5-chloro-2-(trifluoromethyl)pyri-dine, AKOS005063718, AB25622, AS06914, CC-1212, CS-W017146, QC-2589, TRA0024674, VP11022, AC-28475, AJ-67333, AN-44455, BR-34795, CJ-15102, DS-12677, SY034459, AB0020486, AB1008731, AX8103294, DB-011432, TR-033263, 5-Chloro-2-(trifluoromethyl)pyridine, 97%, AM20070087, FT-0081656, FT-0651203, ST24032987, V1369, MFCD06657685 (97%), S-1534, 5-Chloro-alpha,alpha,alpha-trifluoro-2-picoline, 349C940, 3S211024, I02-1790, J-517288, null, 5-Chloro-2- pyridine, C6H3ClF3N, 5-chloro-2-trifluoromethyl-pyridine, ACN-052100,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.991g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.542g/mol
Monoisotopic Mass	180.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1(6.1)
Hazard statements	H302-H315-H317-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P280-P305+P351+P338-P233
UN Code	UN 2926

Certificate of Analysis

Lot Number