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CAS Number: 59962-89-9
ethyl 5-chlorobenzofuran-2-carboxylate

Structure

 ethyl 5-chlorobenzofuran-2-carboxylate
Name: ethyl 5-chlorobenzofuran-2-carboxylate
Synonyms:
General Information
Product Number: 59962899

CAS Registry Number 59962-89-9
Name:
2-?Benzofurancarboxylic acid, 5-?chloro-?, ethyl ester
Ethyl 5-chlorobenzofuran-2-carboxylate

 

Chemical Formula: C11H9ClO3
Exact Mass: 224.02
Molecular Weight: 224.64
m/z: 224.02 (100.0%), 226.02 (32.0%), 225.03 (12.1%), 227.02 (3.8%), 226.03 (1.3%)

 

InChI:InChI=1S/C11H9ClO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3

InChI Key:KTBFFSXNFOOSEH-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC2=C(O1)C=CC(=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point 56-58 °C   (3)CAS
Melting Point 49.5-50.5 °C Solv: ethanol (64-17-5) (4)IC

Specification

98%
References
  1. (3) Piemontese, Luca; Heterocycles 2010, V81(12), P2865-2872 CAPLUS
  2. (4) Witiak, Donald T.; Journal of Medicinal Chemistry 1978, V21(8), P833-7 CAPLUS
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