3-Bromo-2-cyclohexen-1-one

Basic Information

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CAS Number

56671-81-9

Molecular Formula

C6H7BrO

Molecular Weight

175.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

SMILES

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BrC1=CC(=O)CCC1

InChI

InChI=1S/C6H7BrO/c7-5-2-1-3-6(8)4-5/h4H,1-3H2

InChIKey

BVSMYYHGYVHWCD-UHFFFAOYSA-N

LogP

2.0182

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

3-Bromocyclohex-2-enone
3-bromo-2-Cyclohexen-1-one
3-bromocyclohex-2-en-1-one
3-Brom-2-cyclohexen-1-on
3-Brom-cyclohexen-2-on
3-bromo-2-cyclohexenone

MDL Number

MFCD00015782

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9)?

3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9) is a colorless-to-pale yellow liquid with a molecular weight of 185.01 g/mol. It has a high boiling point of 154 °C and is slightly soluble in water. Chemically, it is reactive towards nucleophiles and has a functional group reactivity typical of ketones, making it useful in organic synthesis.

How is 3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9) typically synthesized?

3-Bromo-2-cyclohexen-1-one is typically synthesized via bromination of 2-cyclohexen-1-one using bromine in the presence of a phase transfer catalyst. The reaction is carried out in an organic solvent to achieve high selectivity and yield.

What industries use 3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9)?

3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9) is used in pharmaceuticals for the synthesis of certain drugs, as a precursor in organic chemistry, and in the production of polymers and sensors. It is also valuable in the development of semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9)?

When handling 3-Bromo-2-cyclohexen-1-one (CAS: 56671-81-9), use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood during operations. In case of a spill, immediately clean up with appropriate absorbent materials and follow the safety data sheet (SDS) for disposal instructions.