4,4,4-Trifluoro-1-phenyl-1,3-butanedione

Basic Information

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CAS Number

326-06-7

Molecular Formula

C10H7F3O2

Molecular Weight

216.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

37.0 to 41.0 deg-C

Boiling Point

224°C

Water Solubility

Sparingly Soluble in water (0.24 g/L) (25°C).

Refractive Index

1.5

SMILES

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C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F

InChI

InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

VVXLFFIFNVKFBD-UHFFFAOYSA-N

LogP

2.3908000000000005

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

252

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-phenyl-4,4,4-trifluoro-butane-1,3-dione
1, 4,4,4-trifluoro-1-phenyl-
POTASSIUMHEXAFLUOROZIRCONATE
Tox21_202821
omega-(Trifluoroacetyl)acetophenone
BDBM50121960
NSC-42628
NS00041533
4,4,4-Trifluoro-1-phenyl-1,3-butanedione, 99%
A18637
CS-W014860
EINECS 206-307-8
EN300-17299
4,4,4-Trifluoro-1-phenyl-butane-1,3-dione
AS-40413
NSC 42628
DTXSID2049268
CAS-326-06-7
SR-01000389031
326-06-7
Benzoyl(trifluoroacetyl)methane
NSC42628
T0437
4-Phenyl-1,1,1-trifluorobutane-2,4-dione
FT-0622745
1-Benzoyl-3,3,3-trifluoroacetone
1,1,1-trifluoro-4-phenyl-butane-2,4-dione
1-Benzoyl-3,3-trifluoroacetone
4,4,4-Trifluoro-1-phenylbutane-1,3-dione
SR-01000389031-1
Benzoyltrifluoroacetone

MDL Number

MFCD00000425

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7)?

4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7) is a white crystalline solid with a molecular weight of approximately 248.23 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetonitrile. This compound is chemically stable but reactive towards strong bases and reducing agents.

How is 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7) typically synthesized?

4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7) can be synthesized via a condensation reaction between 3,3,3-trifluoropropionaldehyde and phenylacetic acid. Commonly used catalysts include acid catalysts like sulfuric acid or aqueous hydrochloric acid. The yield is typically 70-80%, with good selectivity to the desired product.

What industries use 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7)?

4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the polymer industry, particularly in the production of thermoplastics and elastomers, and in the electronics industry for the fabrication of semiconductors and sensors.

What precautions should be taken when handling 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7)?

Proper personal protective equipment (PPE) must be worn when handling 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS: 326-06-7), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbent materials and disposed of according to local regulations. The Safety Data Sheet (SDS) provides detailed information on handling and storage procedures.