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CAS Number: 13129-23-2
methyl furan-3-carboxylate

Structure

 methyl furan-3-carboxylate
Name: methyl furan-3-carboxylate
Synonyms:
General Information
Product Number: 13129232
CAS Registry Number: 13129-23-2
Name:
3-​Furancarboxylic acid, methyl ester
3-​Furoic acid, methyl ester (6CI,​7CI,​8CI); 3-​(Methoxycarbonyl)​furan; Methyl 3-​furancarboxylate; Methyl 3-​furoate; NSC 305748 
 
Chemical Formula: C6H6O3
Exact Mass: 126.03
Molecular Weight: 126.11
m/z: 126.03 (100.0%), 127.04 (6.7%)
Elemental Analysis: C, 57.14; H, 4.80; O, 38.06
 
InChI: InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
InChIKey: ZKHQSQYLKSSYIP-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=COC=C1
 
Thermal Properties Value Condition Note
Boiling Point 160 °C   (1)SRC
Boiling Point 112-114 °C Press: 2 Torr (2)CAS
Boiling Point 80 °C Press: 30 Torr (3)CAS
Boiling Point 80 °C Press: 30 Torr (4)CAS
Boiling Point 78-80 °C Press: 42 Torr (5)CAS
Boiling Point 50-51 °C Press: 12 Torr (6)IC

Specification

98%
References
  1. (1) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  2. (2) Andrisano, Renato; Gazzetta Chimica Italiana 1953, V83, P340-6 CAPLUS
  3. (3) Elliott, Michael; FR 1503260 A1 1967 CAPLUS
  4. (4) Elliott, Michael; GB 1168799 1969 CAPLUS
  5. (5) Eugster, C. H.; Helvetica Chimica Acta 1957, V40, P888-906 CAPLUS
  6. (6) Pelletier, S. W.; Tetrahedron 1975, V31(15), P1659-65 CAPLUS
  7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  8. (8) Zanatta, Nilo; Tetrahedron Letters 2004, V45(29), P5689-5691 CAPLUS
  9. (9) Eberbach, Wolfgang; Chemische Berichte 1981, V114(3), P1027-47 CAPLUS
  10. (10) Wrobel, Jerzy T.; Roczniki Chemii 1966, V40(6), P1005-18 CAPLUS
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