2-Butanone,4-(3-bromophenyl)-

Modify Date: 2025-08-25 18:54:51

2-Butanone,4-(3-bromophenyl)- Structure
2-Butanone,4-(3-bromophenyl)- structure
 Common Name 2-Butanone,4-(3-bromophenyl)-
CAS Number 3506-70-5 Molecular Weight 227.09800
Density 1.347g/cm3 Boiling Point 285.1ºC at 760mmHg
Molecular Formula C10H11BrO Melting Point N/A
MSDS N/A Flash Point 67.1ºC

 Names

Name 4-(3-bromophenyl)butan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.347g/cm3
Boiling Point 285.1ºC at 760mmHg
Molecular Formula C10H11BrO
Molecular Weight 227.09800
Flash Point 67.1ºC
Exact Mass 225.99900
PSA 17.07000
LogP 2.97070
Index of Refraction 1.538
InChIKey GMAFLRMHQUMGIG-UHFFFAOYSA-N
SMILES CC(=O)CCc1cccc(Br)c1

 Safety Information

HS Code 2914700090

 Synthetic Route

2,4-Pentandione structure

2,4-Pentandione

CAS#:123-54-6

1-Bromo-3-(chloromethyl)benzene structure

1-Bromo-3-(chlo...

CAS#:932-77-4

~66%

2-Butanone,4-(3-bromophenyl)- Structure

2-Butanone,4-(3...

CAS#:3506-70-5

Literature: Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center; Jones, Philip; DiFrancesco, Maria Emilia; Petrocchi, Alessia; Marszalek, Joe; Liu, Gang Patent: US2014/57914 A1, 2014 ; Location in patent: Paragraph 0375-0376 ;
3-Bromobenzyl bromide structure

3-Bromobenzyl b...

CAS#:823-78-9

2,4-Pentandione structure

2,4-Pentandione

CAS#:123-54-6

~56%

2-Butanone,4-(3-bromophenyl)- Structure

2-Butanone,4-(3...

CAS#:3506-70-5

Literature: ASTRAZENECA AB; ASTEX THERAPEUTICS LTD Patent: WO2007/114771 A1, 2007 ; Location in patent: Page/Page column 25 ; WO 2007/114771 A1
3-(3-Bromophenyl)-N-methoxy-N-methylpropanamide structure

3-(3-Bromopheny...

CAS#:937375-28-5

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

~94%

2-Butanone,4-(3-bromophenyl)- Structure

2-Butanone,4-(3...

CAS#:3506-70-5

Literature: ASTRAZENECA AB; ASTEX THERAPEUTICS LTD Patent: WO2007/58601 A1, 2007 ; Location in patent: Page/Page column 80 ; WO 2007/058601 A1
Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

1-Bromo-3-(chloromethyl)benzene structure

1-Bromo-3-(chlo...

CAS#:932-77-4

~%

2-Butanone,4-(3-bromophenyl)- Structure

2-Butanone,4-(3...

CAS#:3506-70-5

Literature: Zimmerman, Howard E.; Swafford, Richard L. Journal of Organic Chemistry, 1984 , vol. 49, # 17 p. 3069 - 3083

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

3-Brom-benzylaceton
4-(m-Bromophenyl)-2-butanone
2-Butanone,4-(3-bromophenyl)
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