1,3-Difluoroacetone

Basic Information

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CAS Number

453-14-5

Molecular Formula

C3H4F2O

Molecular Weight

94.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Boiling Point

101-102°C

Refractive Index

n20/D 1.371

SMILES

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C(C(=O)CF)F

InChI

InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2

InChIKey

HKIPCXRNASWFRU-UHFFFAOYSA-N

LogP

0.49450000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

46.8

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NSC-21301
1, 3-difluoroacetone
1,3-Difluoroacetone
453-14-5
DTXSID00963363
NSC21301
A826769
1,3-Difluoro-2-propanone
1,3-bis(fluoranyl)propan-2-one
AKOS005257786
2-Propanone, 1,3-difluoro-
2-Propanone,1,3-difluoro-
2-Propanone,3-difluoro-
FT-0600079
A826770
sym-Difluoroacetone
CFH2COCFH2
1 pound not3-DIFLUOROACETONE
MFCD07368665
1,3-difluoropropanone
AT40062
(CH2F)2CO
1,3-Difluoropropan-2-one
fluoromethyl ketone
1,3-Difluoroacetone, 97%

MDL Number

MFCD07368665

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1,3-Difluoroacetone (CAS: 453-14-5)?

1,3-Difluoroacetone (CAS: 453-14-5) is a colorless to slightly yellow liquid with a molecular weight of 114.04 g/mol. It has a melting point of -72°C and a boiling point of 85.4°C. This compound is poorly soluble in water but miscible with ethanol and ether. It is reactive under certain conditions, showing reactivity towards nucleophiles and electrophiles.

How is 1,3-Difluoroacetone (CAS: 453-14-5) typically synthesized?

1,3-Difluoroacetone (CAS: 453-14-5) can be synthesized via the hydrofluorination of acetaldehyde using a platinum catalyst. The reaction is conducted under high pressure and temperature, with selectivity towards the desired product. Other methods include the fluorination of acetone with hydrogen fluoride or other fluorinating agents.

What industries use 1,3-Difluoroacetone (CAS: 453-14-5)?

1,3-Difluoroacetone (CAS: 453-14-5) is used in the pharmaceutical industry for the synthesis of various drugs, in the polymer industry as a monomer for polymers, and in the chemical industry for the production of other organic compounds. It is also used in analytical chemistry as a reagent in sensors and semiconductors.

What precautions should be taken when handling 1,3-Difluoroacetone (CAS: 453-14-5)?

When handling 1,3-Difluoroacetone (CAS: 453-14-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a well-ventilated area, preferably under a fume hood. In case of spillage, use appropriate containment and clean up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.