1,1,3,3-Tetrabromoacetone

Basic Information

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CAS Number

22612-89-1

Molecular Formula

C3H2Br4O

Molecular Weight

373.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

36.0 to 40.0 deg-C

Boiling Point

129-130 ºC (7 Torr)

Flash Point

125.3±13.1 ºC,

Refractive Index

1.648

SMILES

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

InChI

InChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H

InChIKey

SAMNBOHOBWEEEU-UHFFFAOYSA-N

LogP

2.7873

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

79.3

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

GEO-02713
SCHEMBL626354
2-Propanone, 1,1,3,3-tetrabromo-
AMY20039
SY002841
SAMNBOHOBWEEEU-UHFFFAOYSA-
METHYL5-OXO-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE
DTXSID50345973
1,1,3,3-Tetrabromo-2-propanone
2-Propanone,1,1,3,3-tetrabromo-
1,1,3,3-Tetrabromo-propan-2-one
MFCD00059470
A925522
1,1,3,3-Tetrabromoacetone
22612-89-1
AKOS015902378
CS-11017
1,1,3,3-Tetrabromopropanone
InChI=1/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H
FT-0705554
T1026
1,1,3,3-tetrabromopropan-2-one
C3H2Br4O
1,1,3,3-tertabromopropanone
1,1,3,3-tetrabromo-propan-2-one
2-Propanone,1,1,3,3-tetrabromo
SAMNBOHOBWEEEU-UHFFFAOYSA
tetrabromoacetone
alpha,alpha,alpha',alpha'-Tetrabromoacetone
SAMNBOHOBWEEEU-UHFFFAOYSA-N
5002AJ

MDL Number

MFCD00059470

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 1,1,3,3-Tetrabromoacetone (CAS: 22612-89-1)?

1,1,3,3-Tetrabromoacetone (CAS: 22612-89-1) falls under various regulatory guidelines. It is classified as a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as an acute toxicant and a skin and eye irritant. In the EU, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) where it may require authorization for its use. For environmental and safety concerns, it is also regulated by the EPA in the USA and other regulatory bodies worldwide.

Are there alternatives to 1,1,3,3-Tetrabromoacetone in synthesis (CAS: 22612-89-1)?

Alternatives to 1,1,3,3-Tetrabromoacetone in synthesis include other brominated compounds such as 1,3-dibromoacetone and 1,1,3-tribromoacetone. Other substitutes include halogen-free compounds like 2,2,4,4-tetrabromobutanoic acid. These alternatives offer similar reactivity but with potentially different properties and safety profiles.

What is the market or research trend for 1,1,3,3-Tetrabromoacetone (CAS: 22612-89-1)?

The market for 1,1,3,3-Tetrabromoacetone (CAS: 22612-89-1) is driven by its use in flame retardants and as a precursor in organic synthesis. Research trends focus on its application in polymer-based flame retardants and in the production of cross-linking agents. However, due to environmental concerns, there is a growing trend towards the development of less toxic and halogen-free alternatives.

How should waste containing 1,1,3,3-Tetrabromoacetone (CAS: 22612-89-1) be handled?

Waste containing 1,1,3,3-Tetrabromoacetone (CAS: 22612-89-1) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. For disposal, it should be incinerated in an incinerator designed for hazardous wastes or handled by a professional waste disposal service. Safety precautions include the use of appropriate personal protective equipment and adherence to local and national regulations regarding hazardous waste management.