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CAS Number: 7126-44-5
ethyl 3-cyano-1H-pyrrole-2-carboxylate

Structure

 ethyl 3-cyano-1H-pyrrole-2-carboxylate
Name: ethyl 3-cyano-1H-pyrrole-2-carboxylate
Synonyms:
General Information
Product Number: 7126445

CAS Registry Number 7126-44-5
Name:
1H-?Pyrrole-?2-?carboxylic acid, 3-?cyano-?, ethyl ester
Pyrrole-2-carboxylic acid, 3-cyano-, ethyl ester (6CI,7CI,8CI)

 

Chemical Formula: C8H8N2O2
Exact Mass: 164.06
Molecular Weight: 164.16
m/z: 164.06 (100.0%), 165.06 (9.6%)

 

InChI:InChI=1S/C8H8N2O2/c1-2-12-8(11)7-6(5-9)3-4-10-7/h3-4,10H,2H2,1H3

InChI Key:OSBMXQIJLZOLET-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=C(C=CN1)C#N

 

Thermal Properties Value Condition Note
Boiling Point 130-140 °C Press: 0.01 Torr (1)CAS
Melting Point 92-93 °C   (1)CAS
Melting Point 92 °C   (2)CAS

Specification

98%
References
  1. (1) Huisgen, Rolf; Chemische Berichte 1960, V93, P65-81 CAPLUS
  2. (2) Khan, M. K. A.; Tetrahedron 1966, V22(7), P2095-2105 CAPLUS
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