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CAS Number: 37924-85-9
3-(bromomethyl)benzo[d]isoxazole

Structure

 3-(bromomethyl)benzo[d]isoxazole
Name: 3-(bromomethyl)benzo[d]isoxazole
Synonyms:
General Information
Product Number: 37924859

CAS Registry Number 37924-85-9
Name:
1,?2-?Benzisoxazole, 3-?(bromomethyl)?-
3-(Bromomethyl)-1,2-benzisoxazole
3-Bromomethylbenzisoxazole
3-Bromomethylbenzo[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/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2

InChI Key:MAIKTETULSZRED-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=NO2)CBr

 

Thermal Properties Value Condition Note
Melting Point 85 °C Solv: acetic acid (64-19-7) (1)IC
Melting Point 69 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 64-66 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (3)IC
Melting Point See full text   (4)CAS

Specification

98%
References
  1. (1) Mohareb, Rafat Milad; Zeitschrift fuer Naturforschung, B: Chemical Sciences 1990, V45(7), P1067-71 CAPLUS
  2. (2) Varudkar, J. S.; Indian Journal of Heterocyclic Chemistry 2009, V18(4), P337-340 CAPLUS
  3. (3) Bowman, Robert M.; EP 298921 A1 1989 CAPLUS
  4. (4) Kalkote, Uttam R.; Journal of Chemical Research 2005, (2), P99-100 CAPLUS
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