3-Cyclohexylpropanoyl chloride

Basic Information

View in Editor

CAS Number

39098-75-4

Molecular Formula

C9H15ClO

Molecular Weight

174.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

124-126 ºC (35 mmHg)

Refractive Index

1.469-1.472

SMILES

View in Editor

C1CCC(CC1)CCC(=O)Cl

InChI

InChI=1S/C9H15ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2

InChIKey

JUADTOTVJUYCRQ-UHFFFAOYSA-N

LogP

3.112300000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

128

Synonyms & References

English

Cyclohexanepropanoyl chloride
3-cyclohexylpropionyl chloride, AldrichCPR
39098-75-4
Cyclohexylpropionyl chloride
3-CYCLOHEXANEPROPIONYLCHLORIDE
3-cyclohexylpropanoyl Chloride
3-Cyclohexylpropionyl chloride
KM2A8T7JT2
3-CYCLOHEXANEPROPIONYL CHLORIDE
DTXSID30192341
3-Cyclohexylpropionic acid chloride
EN300-64834
AKOS009218302
FT-0615571
JUADTOTVJUYCRQ-UHFFFAOYSA-N
MFCD00066249
3-Cyclohexylpropionic chloride
EINECS 254-289-5
3-cyclohexyl-propionyl chloride
SCHEMBL209174
STR07066
3-cyclohexyl propionic acid chloride
UNII-KM2A8T7JT2
3-cyclohexanepropionyl chloride
3-cyclohexylpropanoyl chloride
Cyclohexanepropionylchloride (6CI)
3-Cyclohexylpropionic acidchloride

MDL Number

MFCD00066249

Customs Code

2916209090

FAQ

What are the physical and chemical properties of 3-Cyclohexylpropanoyl chloride (CAS: 39098-75-4)?

3-Cyclohexylpropanoyl chloride is a colorless to light yellow liquid with a pungent odor. It has a molecular weight of 232.38 g/mol and a density of 1.17 g/cm³. The compound is soluble in common organic solvents like ethanol, acetone, and chloroform. It is highly reactive, readily undergoing nucleophilic substitution reactions and can form esters, amides, and other derivatives.

How is 3-Cyclohexylpropanoyl chloride (CAS: 39098-75-4) typically synthesized?

3-Cyclohexylpropanoyl chloride is typically synthesized by the Michael addition of chloroacetyl chloride to cyclohexene. This reaction is catalyzed by a base, such as sodium hydroxide, and proceeds with high selectivity and yield. The reaction mixture is then cooled and the product is isolated by distillation.

What industries use 3-Cyclohexylpropanoyl chloride (CAS: 39098-75-4)?

3-Cyclohexylpropanoyl chloride is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the polymer industry for the modification of polymers and in the production of functionalized polymers. Additionally, it finds applications in the production of sensors and in materials science for the development of novel materials with specific properties.

What precautions should be taken when handling 3-Cyclohexylpropanoyl chloride (CAS: 39098-75-4)?

When handling 3-Cyclohexylpropanoyl chloride, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a respirator. The compound should be handled in a well-ventilated area or a fume hood. Spills should be handled with appropriate absorbent materials, and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.