AG00EF4Y

63195-39-1 | 2,5,6-Trichloro-4-methylnicotinonitrile

AG00EF4Y

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CAS Number	63195-39-1
Catalog Number	AG00EF4Y(AGN-PC-05OX4W)
Chemical Name	2,5,6-Trichloro-4-methylnicotinonitrile
IUPAC Name	2,5,6-trichloro-4-methylpyridine-3-carbonitrile
InChI	InChI=1S/C7H3Cl3N2/c1-3-4(2-11)6(9)12-7(10)5(3)8/h1H3
InChI Key	MEICKJSSGQUWTE-UHFFFAOYSA-N
MDL Number	MFCD09754021
Molecular Formula	C7H3Cl3N2
Molecular Weight	221.4711
SMILES	ClC1=NC(=C(C(=C1C#N)C)Cl)Cl
Synonyms	63195-39-1, 2,5,6-TRICHLORO-4-METHYLNICOTINONITRILE, 2,5,6-Trichloro-4-methyl-3-pyridinecarbonitrile, 2,5,6-trichloro-4-methylpyridine-3-carbonitrile, AK-38605, 3-Pyridinecarbonitrile, 2,5,6-trichloro-4-methyl-, SCHEMBL2910641, CTK5B8043, DTXSID40652825, MEICKJSSGQUWTE-UHFFFAOYSA-N, ANW-51957, CT-884, MFCD09754021, ZINC26440854, AKOS005135920, CS-W006040, FCH1393211, GS-6602, RP27333, KS-00000I28, AJ-82316, BR-38605, CJ-17459, SC-66366, 2,5,6-trichloro-4-methyl-nicotinonitrile, AB0025955, AX8163315, DB-073282, TR-037348, 4CH-008903, FT-0728951, ST24027329, W7522, S-5183, J-507267, C7H3Cl3N2,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.936g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.465g/mol
Monoisotopic Mass	219.936g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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