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CAS Number: 23341-13-1
5-cyanoisophthalic acid

Structure

5-cyanoisophthalic acid
Name: 5-cyanoisophthalic acid
Synonyms:
General Information
Product Number: 23341131

CAS Registry Number 23341-13-1
Name:
1,​3-​Benzenedicarboxylic acid, 5-​cyano-
Isophthalic acid, 5-cyano- (6CI,7CI,8CI)
5-Cyanobenzene-1,3-dicarboxylic acid
5-Cyanoisophthalic acid

 

Chemical Formula: C9H5NO4
Exact Mass: 191.02
Molecular Weight: 191.14
m/z: 191.02 (100.0%), 192.03 (9.9%), 193.03 (1.3%)

 

InChI:InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)

InChI Key:YKADUTAIRWMMFI-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N

 

Thermal Properties Value Condition Note
Melting Point 330 °C   (1)CAS

Specification

98%

References
  1. (1) Becke, Friedrich; DE 1148994 1963 CAPLUS
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