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CAS Number: 62254-74-4
5-methylisoxazole-3-carbaldehyde

Structure

5-methylisoxazole-3-carbaldehyde
Name: 5-methylisoxazole-3-carbaldehyde
Synonyms:
General Information
Product Number: 62254744
CAS Registry Number: 62254-74-4
Name:
        3-​Isoxazolecarboxaldeh​yde, 5-​methyl-
        5-​Methyl-​3-​formylisoxazole; 5-​Methyl-​3-​isoxazolecarboxaldeh​yde 
 
Chemical Formula: C5H5NO2
Exact Mass: 111.03
Molecular Weight: 111.10
m/z: 111.03 (100.0%), 112.04 (5.5%)
Elemental Analysis: C, 54.05; H, 4.54; N, 12.61; O, 28.80
 
InChI: InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
InChIKey: OCOCVXUEFWNRJU-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=NO1)C=O
 
Thermal Properties Value Condition Note
Boiling Point 53-57 °C Press: 8 Torr (1)CAS
Melting Point 31-33 °C   (2)IC

Specification

98%

References
  1. (1) Kano, Hideo; JP 37017572 B4 1962 CAPLUS
  2. (2) Baraldi, P. G.; Journal of Heterocyclic Chemistry 1982, V19(3), P557-60 CAPLUS
  3. (3) Chen, Yuhpyng L.; US 4826833 A 1989 CAPLUS
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