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CAS Number: 53553-14-3
methyl 2-chloro-3-nitrobenzoate

Structure

methyl 2-chloro-3-nitrobenzoate
Name: methyl 2-chloro-3-nitrobenzoate
Synonyms:
General Information
Product Number: 53553143

CAS Registry Number 53553-14-3
Name:
Benzoic acid, 2-​chloro-​3-​nitro-​, methyl ester
2-Chloro-3-(methoxycarbonyl)nitrobenzene
2-Chloro-3-nitrobenzoic acid methyl ester
Methyl 2-chloro-3-nitrobenzoate

 

Chemical Formula: C8H6ClNO4
Exact Mass: 215.00
Molecular Weight: 215.59
m/z: 215.00 (100.0%), 217.00 (32.8%), 216.00 (9.2%), 218.00 (2.8%)

 

InChI:InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3

InChI Key:JBCQPBVZKBEHNF-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Cl

 

Thermal Properties Value Condition Note
Melting Point 70 °C   (1)CAS

Specification

98%

References
  1. (1) Kenner, James; Journal of the Chemical Society, Transactions 1921, V119, P593-602 CAPLUS
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