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CAS Number: 66033-76-9
5-bromo-3-methylbenzo[d]isoxazole

Structure

 5-bromo-3-methylbenzo[d]isoxazole
Name: 5-bromo-3-methylbenzo[d]isoxazole
Synonyms:
General Information
Product Number: 66033769

CAS Registry Number 66033-76-9
Name:
1,?2-?Benzisoxazole, 5-?bromo-?3-?methyl-
5-Bromo-3-methyl-1,2-benzisoxazole

 

Chemical Formula: C8H6BrNO
Exact Mass: 210.96
Molecular Weight: 212.04
m/z: 210.96 (100.0%), 212.96 (97.3%), 213.96 (8.8%), 211.97 (8.8%)

 

InChI:InChI=1S/C8H6BrNO/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3

InChI Key:ITZVIXFFWVROPH-UHFFFAOYSA-N

Canonical SMILES:CC1=NOC2=C1C=C(C=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 43 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 43 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC

Specification

98%
References
  1. (2) Shastri, R. A.; Journal of the Indian Chemical Society 2008, V85(5), P574-576 CAPLUS
  2. (3) Thakar, K. A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1977, V15B(11), P1058-9 CAPLUS
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