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CAS Number: 66033-69-0
6-bromo-3-methylbenzo[d]isoxazole

Structure

 6-bromo-3-methylbenzo[d]isoxazole
Name: 6-bromo-3-methylbenzo[d]isoxazole
Synonyms:
General Information
Product Number: 66033690

CAS Registry Number 66033-69-0
Name:
1,?2-?Benzisoxazole, 6-?bromo-?3-?methyl-
6-Bromo-3-methyl-1,2-benzisoxazole
6-Bromo-3-methylbenzo[d]isoxazole

 

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

InChI Key:LSPSVCJKVFCWHE-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 73 °C   (1)IC
Melting Point 42-44 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point See full text   (3)CAS

Specification

98%
References
  1. (1) Thakar, K. A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1977, V15B(11), P1058-9 CAPLUS
  2. (2) Shelke, Kiran F.; Organic Communications 2009, V2(3), P72-78 CAPLUS
  3. (3) Kovendi, Alexander; Chemische Berichte 1964, V97(7), P1902-9 CAPLUS
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