458821
2-Chloropyridine-3-carbonyl chloride
98%
Synonym(s):
2-Chloronicotinoyl chloride
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About This Item
Empirical Formula (Hill Notation):
C6H3Cl2NO
CAS Number:
Molecular Weight:
176.00
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
98%
form
solid
mp
39-44 °C (lit.)
functional group
acyl chloride
chloro
SMILES string
ClC(=O)c1cccnc1Cl
InChI
1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H
InChI key
RXTRRIFWCJEMEL-UHFFFAOYSA-N
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Hazard Classifications
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Storage Class
8A - Combustible corrosive hazardous materials
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flash_point_f
235.4 °F - closed cup
flash_point_c
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Chemistry of heterocyclic compounds. 54. Nicotinic acid crown ethers. Synthesis of macrocyclic lactones from 2-chloronicotinic acid and polyethylene glycols. Template effect on the cyclization.
Newkome GR, et al.
The Journal of Organic Chemistry, 45(4), 626-628 (1980)
Synthesis and biological evaluation of new benzothiazoles as antimicrobial agents.
Al-Talib M, et al.
Arabian Journal of Chemistry (2011)
Yu-Peng Hua et al.
Acta crystallographica. Section E, Structure reports online, 65(Pt 2), o373-o373 (2009-01-01)
In the crystal structure of the title compound, C(6)H(5)ClN(2)O, the dihedral angle between the pyridine ring and the carboxamine group is 63.88 (8)°. Inter-molecular N-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network.
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