1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl

Modify Date: 2025-09-10 13:41:47

1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl Structure
1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl structure
Common Name 1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl
CAS Number 322-06-5 Molecular Weight 230.18300
Density 1.248g/cm3 Boiling Point 255.6ºC at 760mmHg
Molecular Formula C11H9F3O2 Melting Point N/A
MSDS N/A Flash Point 88.2ºC

 Names

Name 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.248g/cm3
Boiling Point 255.6ºC at 760mmHg
Molecular Formula C11H9F3O2
Molecular Weight 230.18300
Flash Point 88.2ºC
Exact Mass 230.05500
PSA 34.14000
LogP 2.63680
Index of Refraction 1.461
InChIKey MOOYLYCPAWODGB-UHFFFAOYSA-N
SMILES CC(C(=O)c1ccccc1)C(=O)C(F)(F)F

 Safety Information

HS Code 2914700090

 Synthetic Route

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1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl Structure

1,3-Butanedione...

CAS#:322-06-5

Literature: US5756529 A1, ;

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1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl Structure

1,3-Butanedione...

CAS#:322-06-5

Literature: Journal of the Chemical Society - Dalton Transactions, , # 4 p. 643 - 647

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1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl Structure

1,3-Butanedione...

CAS#:322-06-5

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 1 p. 95 - 98

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1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl Structure

1,3-Butanedione...

CAS#:322-06-5

Literature: Journal of Organic Chemistry, , vol. 76, # 10 p. 3676 - 3683

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1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl Structure

1,3-Butanedione...

CAS#:322-06-5

Literature: Synthesis, , # 1 p. 117 - 120

 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%

 Bioassay

View more

Name: Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC at 2 uM
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL1106175
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

4,4,4-Trifluoro-2-methyl-1-phenyl-butane-1,3-dione
2-methyl-1-phenyl-4,4,4-trifluorobutane-1,3-dione
4,4,4-Trifluor-2-methyl-1-phenyl-butan-1,3-dion
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