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CAS Number: 24068-54-0
1-(5-methylisoxazol-3-yl)ethanone

Structure

 1-(5-methylisoxazol-3-yl)ethanone
Name: 1-(5-methylisoxazol-3-yl)ethanone
Synonyms:
General Information
Product Number: 24068540
CAS Number:
24068-54-0
Name:
Ethanone, 1-(5-methyl-3-isoxazolyl)-
Ketone, methyl 5-methyl-3-isoxazolyl (6CI,8CI); 1-(5-Methyl-1,2-isoxazol-3-yl)ethanone; 3-Acetyl-5-methylisoxazole; Methyl 5-methyl-3-isoxazolyl ketone 
 
Chemical Formula: C6H7NO2
Exact Mass: 125.05
Molecular Weight: 125.13
m/z: 125.05 (100.0%), 126.05 (6.6%)
Elemental Analysis: C, 57.59; H, 5.64; N, 11.19; O, 25.57
 
InChI: InChI=1S/C6H7NO2/c1-4-3-6(5(2)8)7-9-4/h3H,1-2H3
InChIKey: KYVXYWKQFCSMHL-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=NO1)C(=O)C
 
 
Thermal Properties Value Condition Note
Boiling Point 65-70 °C Press: 20 Torr (1)CAS

Specification

98%
References
  1. (1) Schmidt, Julius; Berichte der Deutschen Chemischen Gesellschaft 1909, V42, P1869-86 CAPLUS
  2. (2) Meister, Herbert; Justus Liebigs Annalen der Chemie 1975, (11), P1908-14 CAPLUS
  3. (3) Sauers, Ronald R.; Tetrahedron Letters 1987, V28(47), P5797-800 CAPLUS
  4. (4) Shevchuk, M. I.; Zhurnal Obshchei Khimii 1975, V45(12), P2609-14 CAPLUS
  5. (5) Sauers, Ronald R.; Journal of Heterocyclic Chemistry 2003, V40(4), P655-658 CAPLUS
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