1,3-Dibromoacetone

Basic Information

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CAS Number

816-39-7

Molecular Formula

C3H4Br2O

Molecular Weight

215.87 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

25-30°C

Boiling Point

95 ºC (p=20 torr)

Density

2.12

Flash Point

97-98°C/21mm

Solubility

Soluble in acetone, chloroform, dichloromethane and methanol.

Refractive Index

1.549

SMILES

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C(C(=O)CBr)Br

InChI

InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2

InChIKey

LQQKDSXCDXHLLF-UHFFFAOYSA-N

LogP

1.3453

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

46.8

Safety Information

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Hazard Statement

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

H318 Causes serious eye damage
Serious eye damage/eye irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

1,3-dibromopropan-2-one
2-Propanone, 1,3-dibromo-
2-Propanone,3-dibromo-
UNII-A9T6SLA83G
NS00038144
A20840
1,3-Dibromo-2-propanone
bromomethyl ketone
AS-18890
EINECS 212-430-8
1,3-Dibromoacetone, Technical Grade
bromomethylketone
FT-0606625
A9T6SLA83G
MFCD00013540
FT-0666475
AM85919
GEO-00967
1,3-dibromopropanone
NSC 249810
NSC-249810
1,3-Dibromo-propan-2-one
1,3-Dibromoacetone
1,3-Dibromoacetone, tech
SY009041
EN300-92186
816-39-7
AKOS005206860
1,3-dibromacetone
NSC249810
SCHEMBL228965

MDL Number

MFCD00013540

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 1,3-Dibromoacetone (CAS: 816-39-7)?

1,3-Dibromoacetone (CAS: 816-39-7) is regulated under various guidelines. It is classified according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires it to be stored and handled with caution due to its flammability and reactivity. Additionally, it falls under the European Chemicals Agency's (ECHA) REACH regulations, which mandate reporting of its uses and safety data sheets (SDS) for proper handling. The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific guidelines for the testing and disposal of this compound to ensure public and environmental safety.

Are there alternatives to 1,3-Dibromoacetone (CAS: 816-39-7) in synthesis?

While 1,3-Dibromoacetone (CAS: 816-39-7) is a versatile compound, alternatives include bromoacetaldehyde and other brominated acetones, depending on the synthesis requirements. Isomers such as 2-bromoacetone can also be used. For specific applications, researchers often explore alternatives like 1-bromopropane or other brominated compounds. The choice of alternative largely depends on the desired reaction outcomes and the availability of the reagents.

What is the market or research trend for 1,3-Dibromoacetone (CAS: 816-39-7)?

The market for 1,3-Dibromoacetone (CAS: 816-39-7) is driven by its use in the synthesis of various organic compounds, particularly in the pharmaceutical and agrochemical industries. Research trends focus on its use as a precursor in the production of chiral compounds and in the development of new materials. There is also increasing interest in its role in catalytic reactions and as a functional group in organic synthesis. Market demand is expected to grow with advancements in these areas, although regulatory challenges and safety concerns need to be addressed.

How should waste containing 1,3-Dibromoacetone (CAS: 816-39-7) be handled?

Waste containing 1,3-Dibromoacetone (CAS: 816-39-7) should be managed carefully to ensure safety and compliance. Collection of waste should be done in sealed, leak-proof containers labeled appropriately. Disposal should be carried out by a professional hazardous waste management company, following local and national regulations. Environmental precautions include proper ventilation and protective clothing for handlers. Incineration is a common method of disposal, but it must be performed in an enclosed incinerator to prevent emissions. Always refer to the most current safety data sheet (SDS) for specific disposal instructions and local regulations.