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CAS Number: 55580-08-0
7-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Structure

 7-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Name: 7-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Synonyms:
General Information
Product Number: 55580080

CAS Registry Number 55580-08-0
Name:
1-?Benzoxepin-?5(2H)?-?one, 7-?bromo-?3,?4-?dihydro-
7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one
7-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

 

Chemical Formula: C10H9BrO2
Exact Mass: 239.98
Molecular Weight: 241.08
m/z: 239.98 (100.0%), 241.98 (97.7%), 240.98 (11.0%), 242.98 (10.7%)

 

InChI:InChI=1S/C10H9BrO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6H,1-2,5H2

InChI Key:JMIWCASGALGDMJ-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)C2=C(C=CC(=C2)Br)OC1

 

Thermal Properties Value Condition Note
Boiling Point 104-109 °C Press: 0.3 Torr (1)IC

Specification

98%
References
  1. (1) Freedman, Jules; Journal of Heterocyclic Chemistry 1989, V26(6), P1547-54 CAPLUS
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