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458821

Sigma-Aldrich

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:
49609-84-9
Molecular Weight:
176.00
MDL number:
MFCD00051677
UNSPSC Code:
12352100
PubChem Substance ID:
24869336
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

39-44 °C (lit.)

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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Related Categories

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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