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CAS Number: 31301-50-5
4-bromo-3-methyl-5-phenylisoxazole

Structure

 4-bromo-3-methyl-5-phenylisoxazole
Name: 4-bromo-3-methyl-5-phenylisoxazole
Synonyms:
General Information
Product Number: 31301505

CAS Registry Number 31301-50-5
Name:
Isoxazole, 4-?bromo-?3-?methyl-?5-?phenyl-
4-Bromo-3-methyl-5-phenylisoxazole

 

Chemical Formula: C10H8BrNO
Exact Mass: 236.98
Molecular Weight: 238.08
m/z: 236.98 (100.0%), 238.98 (97.5%), 237.98 (11.2%), 239.98 (10.7%)

 

InChI:InChI=1S/C10H8BrNO/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3

InChI Key:CRZPMYDRPGDHQX-UHFFFAOYSA-N

Canonical SMILES:CC1=NOC(=C1Br)C2=CC=CC=C2

 

Thermal Properties Value Condition Note
Boiling Point 91-92 °C Press: 1 Torr (1)CAS
Melting Point 25-26 °C   (2)IC
Melting Point 24-25 °C   (1)CAS

Specification

98%
References
  1. (1) Kochetkov, N. K.; Zhurnal Obshchei Khimii 1961, V31, P2326-33 CAPLUS
  2. (2) Hansen, John F.; Journal of Heterocyclic Chemistry 1980, V17(3), P475-9 CAPLUS
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