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CAS Number: 13271-49-3
3-bromo-5,5-dimethylcyclohex-2-enone

Structure

 3-bromo-5,5-dimethylcyclohex-2-enone
Name: 3-bromo-5,5-dimethylcyclohex-2-enone
Synonyms:
General Information
Product Number: 13271493

CAS Registry Number 13271-49-3
Name:
2-?Cyclohexen-?1-?one, 3-?bromo-?5,?5-?dimethyl-
3-Bromo-5,5-dimethyl-2-Cyclohexen-1-one
3-Bromo-5,5-dimethyl-2-cyclohexenone
5,5-Dimethyl-3-bromocyclohex-2-enone

 

Chemical Formula: C8H11BrO
Exact Mass: 202.00
Molecular Weight: 203.08
m/z: 202.00 (100.0%), 204.00 (97.5%), 203.00 (8.7%), 205.00 (8.6%)

 

InChI:InChI=1S/C8H11BrO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

InChI Key:LPZGJNIBSGPOED-UHFFFAOYSA-N

Canonical SMILES:CC1(CC(=CC(=O)C1)Br)C

 

Thermal Properties Value Condition Note
Boiling Point 95 °C Press: 10 Torr (1)IC
Boiling Point 83-85 °C Press: 0.2 Torr (2)IC

Specification

98%
References
  1. (1) Kowalski, Conrad J.; Journal of Organic Chemistry 1981, V46(1), P197-201 CAPLUS
  2. (2) Shih, Chuan; Journal of Organic Chemistry 1982, V47(15), P2825-32 CAPLUS
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