3,3-Dibromo-1,1,1-trifluoroacetone

Basic Information

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CAS Number

431-67-4

Molecular Formula

C3HBr2F3O

Molecular Weight

269.84 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

111 °C

Boiling Point

113°C

Water Solubility

Soluble in Chloroform. Not miscible or difficult to mix in water.

Flash Point

111-113°C

Refractive Index

1.4305

SMILES

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

InChI

InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H

InChIKey

HEPPAPZASXFWTB-UHFFFAOYSA-N

LogP

2.2337

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

119

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

3,3-dibromo-1,1,1-trifluoropropanone
AKOS005063738
A6980
1,1,1-trifluoro-3,3-dibromoacetone
GS-3496
D77734
DTXSID00338658
431-67-4
1,1-Dibromo-3,3,3-trifluoroacetone
dibromotrifluoroaceton
C3HBr2F3O
3,3-Dibromo-1,1,1-trifluoroacetone
3,3-dibromo-1,1,1-trifluoropropan-2-one
l,l-dibromo-3,3,3-trifluoroacetone
FT-0623628
1,1-Dibromo-3,3,3-tetrafluoromethyl-2-propanone
3,3-Dibromo-1,1,1-trifluoro-2-propanone
Q-102555
1,1-dibromo-3,3,3-trifluoro-acetone
3,3-Dibromo-1,1,1-trifluoroacetone #
3,3-dibromo-1,1,1-trifluoro-propan-2-one
MFCD00041362
1,1-di-bromo-3,3,3-trifluoroacetone
EN300-42325
CS-W012390
3,3-dibromotrifluoroacetone
2-Propanone, 3,3-dibromo-1,1,1-trifluoro-
D4004
AMY6810
SCHEMBL216366
3,3-Dibromo-1,1,1-trifluoropropan-2-one

MDL Number

MFCD00041362

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 3,3-Dibromo-1,1,1-trifluoroacetone (CAS: 431-67-4)?

3,3-Dibromo-1,1,1-trifluoroacetone (CAS: 431-67-4) should comply with the Globally Harmonized System (GHS) for classification and labeling, and the REACH regulations for registration, evaluation, authorization, and restriction of chemicals in the European Union. In the United States, it must adhere to FDA and EPA guidelines for handling and disposal.

Are there alternatives to 3,3-Dibromo-1,1,1-trifluoroacetone in synthesis?

Alternatives to 3,3-Dibromo-1,1,1-trifluoroacetone include other halogenated ketones such as bromoacetone or trifluoroacetone. These alternatives can be used in similar synthetic reactions but may have different reactivity and toxicity profiles.

What is the market or research trend for 3,3-Dibromo-1,1,1-trifluoroacetone?

The market for 3,3-Dibromo-1,1,1-trifluoroacetone is driven by its use in pharmaceutical intermediates and analytical chemistry. Research trends are focusing on developing more environmentally friendly synthesis methods and exploring new applications in asymmetric catalysis and drug discovery.

How should waste containing 3,3-Dibromo-1,1,1-trifluoroacetone be handled?

Waste containing 3,3-Dibromo-1,1,1-trifluoroacetone should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but environmental protection and safety precautions must be strictly followed to minimize the release of harmful bromine compounds into the environment.