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CAS Number: 51135-73-0
ethyl 5-methylisoxazole-4-carboxylate

Structure

ethyl 5-methylisoxazole-4-carboxylate
Name: ethyl 5-methylisoxazole-4-carboxylate
Synonyms:
General Information
Product Number: 51135730
CAS Registry Number: 51135-73-0
Name:
4-​Isoxazolecarboxylic acid, 5-​methyl-​, ethyl ester
Ethyl 5-​methyl-​4-​isoxazolecarboxylate 
 
Chemical Formula: C7H9NO3
Exact Mass: 155.06
Molecular Weight: 155.15
m/z: 155.06 (100.0%), 156.06 (8.2%)
Elemental Analysis: C, 54.19; H, 5.85; N, 9.03; O, 30.94
 
InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3
InChIKey: KOMSQTMQKWSQDW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(ON=C1)C
 
Thermal Properties Value Condition Note
Boiling Point 104 °C Press: 23 Torr (1)CAS
Boiling Point 95-97 °C Press: 15 Torr (1)CAS
Boiling Point 90-95 °C Press: 20 Torr (2)IC
Boiling Point 58-60 °C Press: 0.3 Torr (3)IC
Boiling Point 58-60 °C Press: 0.3 Torr (4)IC
Boiling Point 58-60 °C Press: 0.3 Torr (5)IC

Specification

98%

References
  1. (1) Yasuda, Hiroyuki; Yakugaku Zasshi 1959, V79, P836-8 CAPLUS
  2. (2) Schenone, Pietro; Journal of Heterocyclic Chemistry 1991, V28(2), P453-7 CAPLUS
  3. (3) Lempert, Karoly; DE 3405422 A1 1984 CAPLUS
  4. (4) Lompert, Karoly; HU 33768 A2 1984 CAPLUS
  5. (5) Lempert, Karoly; DE 3529159 A1 1986 CAPLUS
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