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CAS Number: 17289-20-2
methyl 1-methyl-1H-imidazole-5-carboxylate

Structure

methyl 1-methyl-1H-imidazole-5-carboxylate
Name: methyl 1-methyl-1H-imidazole-5-carboxylate
Synonyms:
General Information
Product Number: 17289202
CAS Registry Number: 17289-20-2
Name:
1H-​Imidazole-​5-​carboxylic acid, 1-​methyl-​, methyl ester
Imidazole-​5-​carboxylic acid, 1-​methyl-​, methyl ester (6CI,​7CI,​8CI); 3-​Methyl-​3H-​imidazole-​4-​carboxylic acid methyl ester; 5-​Carbomethoxy-​1-​methylimidazole; Methyl 1-​methyl-​1H-​imidazole-​5-​carboxylate; Methyl 1-​methylimidazole-​5-​carboxylate 
 
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/c1-8-4-7-3-5(8)6(9)10-2/h3-4H,1-2H3
InChIKey: AKDPLDCXQNEMCL-UHFFFAOYSA-N
Canonical SMILES : CN1C=NC=C1C(=O)OC
 
Thermal Properties Value Condition Note
Boiling Point 115 °C Press: 8 Torr (1)IC
Boiling Point 115 °C Press: 8 Torr (2)CAS
Boiling Point 115 °C Press: 8 Torr (3)CAS
Melting Point 68-70 °C   (4)CAS
Melting Point 56-57 °C   (2)CAS
Melting Point 56-57 °C   (3)CAS

Specification

98%

References
  1. (1) Kirchlechner, Richard; EP 336250 A1 1989 CAPLUS
  2. (2) Jones, Reuben G.; Journal of the American Chemical Society 1949, V71, P644-7 CAPLUS
  3. (3) Schneider, Friedhelm; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie 1962, V327, P74-85 CAPLUS
  4. (4) Hubball, Wilfrid; Journal of the Chemical Society 1928, P21-32 CAPLUS
  5. (5) Takahashi, Kazuyuki; Bulletin of the Chemical Society of Japan 1980, V53(2), P557-8 CAPLUS
  6. (6) Koehler, Hermann; EP 306868 A1 1989 CAPLUS
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