3-Bromo-1,1,1-trifluoroacetone | CAS No. 431-35-6

Q: What are the physical and chemical properties of 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6)?

3-Bromo-1,1,1-trifluoroacetone is a colorless or slightly yellow liquid with a molecular weight of approximately 215.03 g/mol. It is slightly soluble in water but miscible with common organic solvents. Chemically, it is known for its high reactivity, particularly towards nucleophiles, and is often used in organic synthesis due to its bromine functionality.

Q: How is 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6) typically synthesized?

3-Bromo-1,1,1-trifluoroacetone is typically synthesized through the bromination of 1,1,1-trifluoroacetone using bromine or a bromine derivative in the presence of Lewis acids or transition metal catalysts. The reaction is selective and can yield high purity products with good yield.

Q: What industries use 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6)?

3-Bromo-1,1,1-trifluoroacetone is used in various industries, including pharmaceuticals, where it serves as a key intermediate in the synthesis of drug molecules. It is also used in the polymer industry for the modification of polymers, in the production of sensors for detecting volatile organic compounds, and in the electronics industry for semiconductors and other applications.

Q: What precautions should be taken when handling 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6)?

When handling 3-Bromo-1,1,1-trifluoroacetone, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using an appropriate cleaning agent, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.

3-Bromo-1,1,1-trifluoroacetone

Basic Information

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CAS Number

431-35-6

Molecular Formula

C3H2BrF3O

Molecular Weight

190.95 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

Melting Point

<-80°C

Boiling Point

88°C

Water Solubility

Immiscible with water.

Refractive Index

n20/D 1.376(lit.)

SMILES

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C(C(=O)C(F)(F)F)Br

InChI

InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2

InChIKey

ONZQYZKCUHFORE-UHFFFAOYSA-N

LogP

1.5126999999999997

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

97.2

Safety Information

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GHS Hazard Pictograms

H225

H314

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Lachrymatory

Synonyms & References

English

3-Bromo-1,1,1-trifluoroacetone, 98%
3-Bromo-1,1,1-trifluoro-2-propanone
bromo-3,3,3-trifluoropropanone
SCHEMBL71390
PD193105
1,1,1-trifluoro-3-bromoacetone
LS-12948
1-Bromo-3,3,3-trifluoroacetone
bromotrifloroacetone
431-35-6
InChI=1/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H
bromo-1,1,1-trifluoroacetone
2-Propanone, 3-bromo-1,1,1-trifluoro-
3-bromo-1,1,1-trifluoro-propan-2-one
1-Bromo-3,3,3-trifluoro-2-propanone
C3H2BrF3O
B1240
3-Bromo-1,1,1-trifluoroacetone
F0001-1189
53REV65E85
NS00042864
Bromotrifluoroacetone
MFCD00039237
CS-W013229
H10738
FT-0615120
UNII-53REV65E85
3,3,3-trifluorobromoacetone
3-Bromo-1,1,1-trifluoropropanone
CF3COCH2Br
DTXSID30195690

MDL Number

MFCD00039237

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6)?

3-Bromo-1,1,1-trifluoroacetone is a colorless or slightly yellow liquid with a molecular weight of approximately 215.03 g/mol. It is slightly soluble in water but miscible with common organic solvents. Chemically, it is known for its high reactivity, particularly towards nucleophiles, and is often used in organic synthesis due to its bromine functionality.

How is 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6) typically synthesized?

3-Bromo-1,1,1-trifluoroacetone is typically synthesized through the bromination of 1,1,1-trifluoroacetone using bromine or a bromine derivative in the presence of Lewis acids or transition metal catalysts. The reaction is selective and can yield high purity products with good yield.

What industries use 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6)?

3-Bromo-1,1,1-trifluoroacetone is used in various industries, including pharmaceuticals, where it serves as a key intermediate in the synthesis of drug molecules. It is also used in the polymer industry for the modification of polymers, in the production of sensors for detecting volatile organic compounds, and in the electronics industry for semiconductors and other applications.

What precautions should be taken when handling 3-Bromo-1,1,1-trifluoroacetone (CAS: 431-35-6)?

When handling 3-Bromo-1,1,1-trifluoroacetone, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using an appropriate cleaning agent, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.