4,4,4-Trifluorobutanal

Basic Information

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CAS Number

406-87-1

Molecular Formula

C4H5F3O

Molecular Weight

126.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

96 ºC

Flash Point

-3.6±18.8 ºC,

Refractive Index

1.3387 (589.3 nm 25 ºC)

SMILES

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

InChI

InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2

InChIKey

SCJCDNUXDWFVFI-UHFFFAOYSA-N

LogP

1.5277999999999996

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

75.8

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Class FLAMMABLE Class FLAMMABLE

Synonyms & References

English

4,4,4-trifluorobutyraldehyde
GS-3492
AKOS005259372
4,4,4-tris(fluoranyl)butanal
Butanal, 4,4,4-trifluoro-
MFCD00190643
DTXSID10380365
406-87-1
4,4,4-trifluoro-1-butanal
4,4,4-Trifluorobutaldehyde
AM20100084
F20565
FT-0616972
A825235
Q-103485
EN300-175987
SCHEMBL285606
4,4,4-trifluorobutanal
4,4,4-trifluoro-butyraldehyde
4,4,4-Trifluorobutyraldehyde, tech.
4,4,4-Trifluorobutanal
Butanal,4,4,4-trifluoro-
3,3,3-Trifluoropropanaldehyde
3-(Trifluoromethyl)propanal

MDL Number

MFCD00190643

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 4,4,4-Trifluorobutanal (CAS: 406-87-1)?

4,4,4-Trifluorobutanal (CAS: 406-87-1) is a colorless liquid with a strong, pungent odor. It has a molecular weight of 130.06 g/mol and a boiling point of 95-97°C. The compound is slightly soluble in water but highly soluble in organic solvents. It is moderately reactive, particularly with nucleophiles, and can undergo keto-enol tautomerism.

How is 4,4,4-Trifluorobutanal (CAS: 406-87-1) typically synthesized?

4,4,4-Trifluorobutanal can be synthesized through the oxidative cleavage of 1,1,1-trifluoro-3-butanone using osmium tetroxide and acetone as catalysts. This method provides good yield and selectivity for the aldehyde product. Other routes include the reduction of trifluoroacetaldehyde with hydrogen over a metal catalyst.

What industries use 4,4,4-Trifluorobutanal (CAS: 406-87-1)?

4,4,4-Trifluorobutanal (CAS: 406-87-1) is used in the pharmaceutical industry for the synthesis of certain drugs due to its unique functional groups. It is also utilized in the polymer industry as a monomer for specialized polymers. Additionally, it has applications in sensors and semiconductors for its chemical reactivity and functional properties.

What precautions should be taken when handling 4,4,4-Trifluorobutanal (CAS: 406-87-1)?

When handling 4,4,4-Trifluorobutanal (CAS: 406-87-1), ensure the use of appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood. Store the compound in a cool, dry place away from heat sources and direct sunlight. In case of spill, refer to the safety data sheet (SDS) for proper handling instructions and clean up using appropriate absorbents.