2-Bromo-1-phenyl-1-hexanone

Basic Information

View in Editor

CAS Number

59774-06-0

Molecular Formula

C12H15BrO

Molecular Weight

255.15 g/mol

EINECS

200-797-7

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

98 °C(Press: 0.3 Torr)

Density

1.272±0.06 g/cm3(Predicted)

SMILES

View in Editor

O=C(c1ccccc1)C(Br)CCCC

InChI

InChI=1S/C12H15BrO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

InChIKey

MQIJCWVCTPNMKW-UHFFFAOYSA-N

LogP

3.823000000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

1-Hexanone, 2-bromo-1-phenyl-
2-bromo-1-phenylhexan-1-one
2-bromohexanophenone
2-Brom-1-phenyl-hexan-1-on

EC Number

200-797-7

FAQ

What are the physical and chemical properties of 2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0)?

2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0) is a crystalline solid with a molecular weight of 238.19 g/mol. It has a low water solubility and is soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive towards nucleophiles and exhibits typical ketone reactivity. It is typically stored in a cool, dark place to prevent photodegradation.

How is 2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0) typically synthesized?

2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0) is typically synthesized via bromination of 1-phenyl-1-hexanone using N-bromosuccinimide (NBS) as the brominating agent. This reaction is carried out in the presence of a radical initiator such as benzoyl peroxide. The process yields a mixture of isomers, which can be separated by recrystallization or chromatography.

What industries use 2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0)?

2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0) is primarily used in the pharmaceutical and chemical synthesis industries for the preparation of complex organic molecules. It is also utilized in the production of certain polymers and as a precursor in the synthesis of organic compounds with specific functional groups.

What precautions should be taken when handling 2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0)?

When handling 2-Bromo-1-phenyl-1-hexanone (CAS: 59774-06-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood due to its potential for inhalation hazards. Spills should be immediately cleaned up and handled according to the Material Safety Data Sheet (MSDS). For further safety information, refer to the SDS provided by the manufacturer.