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Merck
CN

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

Key Documents

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Product Name

2-Chloropyridine-3-carbonyl chloride, 98%

InChI

1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H

SMILES string

ClC(=O)c1cccnc1Cl

InChI key

RXTRRIFWCJEMEL-UHFFFAOYSA-N

assay

98%

form

solid

mp

39-44 °C (lit.)

functional group

acyl chloride
chloro

Quality Level

100

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Related Categories

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
0000185548
0000185548
0000140774
MKBS0612V

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Synthesis and biological evaluation of new benzothiazoles as antimicrobial agents.
Al-Talib M, et al.
Arabian Journal of Chemistry (2011)
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)
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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