2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE

Modify Date: 2025-09-03 19:11:10

2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE Structure
2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE structure
Common Name 2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE
CAS Number 117910-76-6 Molecular Weight 217.10300
Density 1.315g/cm3 Boiling Point 254.7ºC at 760 mmHg
Molecular Formula C9H13BrO Melting Point N/A
MSDS N/A Flash Point 54.3ºC

 Names

Name 2-bromo-3,5,5-trimethylcyclohex-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.315g/cm3
Boiling Point 254.7ºC at 760 mmHg
Molecular Formula C9H13BrO
Molecular Weight 217.10300
Flash Point 54.3ºC
Exact Mass 216.01500
PSA 17.07000
LogP 3.04440
Vapour Pressure 0.017mmHg at 25°C
Index of Refraction 1.508
InChIKey LOOICURBBVVICD-UHFFFAOYSA-N
SMILES CC1=C(Br)C(=O)CC(C)(C)C1

 Synthetic Route

~95%

2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE Structure

2-BROMO-3,5,5-T...

CAS#:117910-76-6

Literature: Ranu, Brindaban C.; Banerjee, Subhash Journal of Organic Chemistry, 2005 , vol. 70, # 11 p. 4517 - 4519

~87%

2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE Structure

2-BROMO-3,5,5-T...

CAS#:117910-76-6

Literature: Ranu, Brindaban C.; Adak, Laksmikanta; Banerjee, Subhash Australian Journal of Chemistry, 2007 , vol. 60, # 5 p. 358 - 362

~91%

2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE Structure

2-BROMO-3,5,5-T...

CAS#:117910-76-6

Literature: Dieter, R. Karl; Nice, Lois E.; Velu, Sadanandan E. Tetrahedron Letters, 1996 , vol. 37, # 14 p. 2377 - 2380

 Synonyms

2-BROMO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE
2-Brom-3,5,5-trimethyl-cyclohex-2-enon
2-Cyclohexen-1-one,2-bromo-3,5,5-trimethyl
2-bromoisophorone
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