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CAS Number: 220513-49-5
5-bromo-1,3-dihydroisobenzofuran

Structure

 5-bromo-1,3-dihydroisobenzofuran
Name: 5-bromo-1,3-dihydroisobenzofuran
Synonyms:
General Information
Product Number: 220513495

CAS Registry Number 220513-49-5
Name:
Isobenzofuran, 5-?bromo-?1,?3-?dihydro-
5-Bromo-1,3-dihydro-2-benzofuran

 

Chemical Formula: C8H7BrO
Exact Mass: 197.97
Molecular Weight: 199.04
m/z: 197.97 (100.0%), 199.97 (97.8%), 198.97 (8.8%), 200.97 (8.5%)

 

InChI:InChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2

InChI Key:NZZWXNMQOCNDKD-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(CO1)C=C(C=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 41-42 °C Solv: pentane (109-66-0); dichloromethane (75-09-2) (1)CAS

Specification

98%
References
  1. (1) Garcia, Daniel; Heterocycles 2009, V77(2), P991-1005 CAPLUS
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