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CAS Number: 33543-78-1
ethyl 1H-imidazole-2-carboxylate

Structure

ethyl 1H-imidazole-2-carboxylate
Name: ethyl 1H-imidazole-2-carboxylate
Synonyms:
General Information
Product Number: 33543781
CAS Number:
33543-78-1
Name:
1H-Imidazole-2-carboxylicacid, ethyl ester
Synonyms:
Imidazole-2-carboxylicacid, ethyl ester (8CI);Ethyl 1H-imidazole-2-carboxylate;Ethylimidazole-2-carboxylate;Ethyl imidazole-2-carboxylate;
Deleted CAS Registry Numbers: 1333169-23-5
 
Chemical Formula: C6H8N2O2
Exact Mass: 140.06
Molecular Weight: 140.14
m/z: 140.06 (100.0%), 141.06 (7.4%)
Elemental Analysis: C, 51.42; H, 5.75; N, 19.99; O, 22.83
 
InChI: InChI=1S/C6H8N2O2/c1-2-10-6(9)5-7-3-4-8-5/h3-4H,2H2,1H3,(H,7,8)
InChIKey: UHYNYIGCGVDBTC-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NC=CN1
 
Thermal Properties Value Condition Note
Melting Point 178-179 °C Solv: ethanol (64-17-5) (1)IC
Melting Point 173-174 °C Solv: ethyl ether (60-29-7) (2)IC

Specification

98%

References
  1. (1) Kirk, Kenneth L.; Journal of Organic Chemistry 1978, V43(22), P4381-3 CAPLUS
  2. (2) Kimoto, Hiroshi; Journal of Organic Chemistry 1979, V44(16), P2902-6 CAPLUS
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