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CAS Number: 21635-99-4
ethyl 5-cyano-1H-pyrrole-2-carboxylate

Structure

ethyl 5-cyano-1H-pyrrole-2-carboxylate
Name: ethyl 5-cyano-1H-pyrrole-2-carboxylate
Synonyms:
General Information
Product Number: 21635994
CAS Registry Number: 21635-99-4
Name:
        1H-​Pyrrole-​2-​carboxylic acid, 5-​cyano-​, ethyl ester
        Pyrrole-​2-​carboxylic acid, 5-​cyano-​, ethyl ester (8CI); Ethyl 5-​cyano-​1H-​pyrrole-​2-​carboxylate 
 
Chemical Formula: C8H8N2O2
Exact Mass: 164.06
Molecular Weight: 164.16
m/z: 164.06 (100.0%), 165.06 (9.6%)
Elemental Analysis: C, 58.53; H, 4.91; N, 17.06; O, 19.49
 
InChI: InChI=1S/C8H8N2O2/c1-2-12-8(11)7-4-3-6(5-9)10-7/h3-4,10H,2H2,1H3
InChIKey: OTHVTCUDJVHQDP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(N1)C#N
 
Thermal Properties Value Condition Note
Melting Point 119-120 °C   (1)CAS

Specification

98%

References
  1. (1) Yin, Zhenming; Acta Crystallographica, Section E: Structure Reports Online 2003, V59(12), Po1881-o1882 CAPLUS
  2. (2) Player, Mark R.; US 20050131022 A1 2005 CAPLUS
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