4-(4-chlorophenyl)-3,3-dimethylbutan-2-one

Modify Date: 2025-09-21 06:04:10

4-(4-chlorophenyl)-3,3-dimethylbutan-2-one Structure
4-(4-chlorophenyl)-3,3-dimethylbutan-2-one structure
Common Name 4-(4-chlorophenyl)-3,3-dimethylbutan-2-one
CAS Number 80703-89-5 Molecular Weight 210.70000
Density N/A Boiling Point N/A
Molecular Formula C12H15ClO Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(4-chlorophenyl)-3,3-dimethylbutan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C12H15ClO
Molecular Weight 210.70000
Exact Mass 210.08100
PSA 17.07000
LogP 3.49770
InChIKey KQYDWKBGHOJTRR-UHFFFAOYSA-N
SMILES CC(=O)C(C)(C)Cc1ccc(Cl)cc1

 Synthetic Route

~%

4-(4-chlorophenyl)-3,3-dimethylbutan-2-one Structure

4-(4-chlorophen...

CAS#:80703-89-5

Literature: Bayer Aktiengesellschaft Patent: US4663465 A1, 1987 ;

~%

4-(4-chlorophenyl)-3,3-dimethylbutan-2-one Structure

4-(4-chlorophen...

CAS#:80703-89-5

Literature: Bayer Aktiengesellschaft Patent: US4681952 A1, 1987 ;

~33%

4-(4-chlorophenyl)-3,3-dimethylbutan-2-one Structure

4-(4-chlorophen...

CAS#:80703-89-5

Literature: Lindberg; Bengtsson; Johansson; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 6 p. 495 - 501

 Synonyms

1-(4-chlorophenyl)-2,2-dimethyl-3-butanone
1-(4-chlorophenyl)-2,2-dimethylbutan-3-one
2-Butanone,4-(4-chlorophenyl)-3,3-dimethyl
4-(4-chlorophenyl)-3,3-dimethyl-2-butanone
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