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CAS Number: 57800-76-7
methyl 5-chloro-4-nitrothiophene-2-carboxylate

Structure

 methyl 5-chloro-4-nitrothiophene-2-carboxylate
Name: methyl 5-chloro-4-nitrothiophene-2-carboxylate
Synonyms:
General Information
Product Number: 57800767

CAS Registry Number 57800-76-7
Name:
2-?Thiophenecarboxylic acid, 5-?chloro-?4-?nitro-?, methyl ester
Methyl 5-chloro-4-nitro-2-thiophenecarboxylate

 

Chemical Formula: C6H4ClNO4S
Exact Mass: 220.95
Molecular Weight: 221.62
m/z: 220.95 (100.0%), 222.95 (36.5%), 221.96 (6.7%), 223.96 (2.2%), 224.95 (1.5%), 221.95 (1.2%), 222.96 (1.1%)

 

InChI:InChI=1S/C7H6ClNO4S/c1-2-13-7(10)5-3-4(9(11)12)6(8)14-5/h3H,2H2,1H3

InChI Key:VJKXMTCBMRGJIE-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 84.5-86 °C   (1)CAS
Melting Point 83-84 °C   (2)CAS

Specification

98%
References
  1. (1) Jean, George N.; Journal of Organic Chemistry 1955, V20, P1363-9 CAPLUS
  2. (2) Hurd, Charles D.; Journal of the American Chemical Society 1952, V74, P2965-70 CAPLUS
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