2-(2-Chlorophenyl)cyclohexan-1-one

Basic Information

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CAS Number

91393-49-6

Molecular Formula

C12H13ClO

Molecular Weight

208.69 g/mol

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

SMILES

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C1CCC(=O)C(C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H13ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,10H,2,4,6,8H2

InChIKey

UOEXWLLNMGAJDD-UHFFFAOYSA-N

LogP

3.5667000000000018

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

214

Synonyms & References

English

Cyclohexanone, 2-(2-chlorophenyl)-
2-(2-chlorophenyl)cyclohexan-1-one
2-(2-Chlorophenyl)-cyclohexanone
2-(2-Chlorophenyl)cyclohexanone (ACI)
Cyclohexanone, 2-(o-chlorophenyl)- (6CI, 7CI)
2-(2-Chlorophenyl)cyclohexan-1-one
2-(o-Chlorophenyl)cyclohexan-1-one
AKOS005216997
MFCD03090804
2-(2-chloro-phenyl)-cyclohexanone
2-(2-Chlorophenyl)cyclohexanone
DTXSID30402558
CS-0245608
SY033800
G74681
EN300-307383
SCHEMBL1617179
DB-121555
UOEXWLLNMGAJDD-UHFFFAOYSA-N
91393-49-6
AKOS017478260

MDL Number

MFCD03090804

FAQ

What are the physical and chemical properties of 2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6)?

2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6) is a white crystalline solid with a molecular weight of approximately 212.01 g/mol. It has a melting point of 75-76°C and is slightly soluble in water. The compound is reactive towards basic and acidic conditions and can undergo electrophilic substitution reactions.

How is 2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6) typically synthesized?

2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6) can be synthesized via a Claisen-type condensation reaction between 2-chlorophenylacetic acid and cyclohexanone. The reaction is catalyzed by a weak base like sodium hydroxide, providing good yield and selectivity.

What industries use 2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6)?

2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6) is used in the pharmaceutical industry for the synthesis of certain organic compounds and in the polymer industry for modifying polymer properties. It also finds application in the production of sensors and semiconductors.

What precautions should be taken when handling 2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6)?

Handling 2-(2-Chlorophenyl)cyclohexan-1-one (CAS: 91393-49-6) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be performed in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.