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CAS Number: 101084-94-0
3-(pyridin-3-yl)isoxazol-5(2H)-one

Structure

3-(pyridin-3-yl)isoxazol-5(2H)-one
Name: 3-(pyridin-3-yl)isoxazol-5(2H)-one
Synonyms:
General Information
Product Number: 101084940

CAS Registry Number 101084-94-0
Name:
5(4H)​-​Isoxazolone, 3-​(3-​pyridinyl)​-
2-Isoxazolin-5-one, 3-(3-pyridyl)- (6CI)
3-(3-Pyridyl)isoxazol-5-one

 

Chemical Formula: C8H6N2O2
Exact Mass: 162.04
Molecular Weight: 162.15
m/z: 162.04 (100.0%), 163.05 (8.8%)

 

InChI:InChI=1S/C8H6N2O2/c11-8-4-7(10-12-8)6-2-1-3-9-5-6/h1-3,5H,4H2

InChI Key:OGXWLRCPBZNTIY-UHFFFAOYSA-N

Canonical SMILES:C1C(=NOC1=O)C2=CN=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 164 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 132-135 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) El-Badawi, M. A.; Bulgarian Chemical Communications 2008, V40(1), P70-77 CAPLUS
  2. (2) Caradonna, Clary; Annali di Chimica (Rome, Italy) 1959, V49, P2083-8 CAPLUS
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