1-(4-Chlorophenyl)acetone

Basic Information

View in Editor

CAS Number

5586-88-9

Molecular Formula

C9H9ClO

Molecular Weight

168.62 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

216°C

Flash Point

>110℃

Refractive Index

1.5325-1.5345

SMILES

View in Editor

CC(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

InChIKey

WEJRYKSUUFKMBC-UHFFFAOYSA-N

LogP

2.4715000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

137

Synonyms & References

English

1-(4-Chlorophenyl)acetone #
P-CHLOROPHENYL-2-PROPANONE
1-(P-CHLOROPHENYL)-2-PROPANONE
NSC-22985
1-(4-Chlorophenyl)acetone
NSC 22985
1-(4-chlorophenyl)propan-2-one
2-PROPANONE, (P-CHLOROPHENYL)-
2-Propanone,p-chlorophenyl-
MFCD00045214
NSC22985
I2FE1ERE85
AKOS000215971
A830846
1-(4-Chlorophenyl)-2-propanone
(p-chlorophenyl)acetone
P-CHLOROBENZYL METHYL KETONE
s10960
EN300-60465
4-chlorophenylacetone, AldrichCPR
NS00033416
AMY15000
Methyl p-chlorobenzyl ketone
5586-88-9
4-Chlorophenylacetone
4-chlorobenzyl methyl ketone
(4-chlorophenyl)acetone
UNII-I2FE1ERE85
STR06042
p-(Chlorophenyl)acetone
DTXSID90204459

MDL Number

MFCD00045214

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(4-Chlorophenyl)acetone (CAS: 5586-88-9)?

1-(4-Chlorophenyl)acetone (CAS: 5586-88-9) is a colorless crystalline solid with a molecular weight of 186.64 g/mol. It has a pKa of 12.0 and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is moderately reactive, capable of undergoing nucleophilic substitution at the chloro group and condensation reactions.

How is 1-(4-Chlorophenyl)acetone (CAS: 5586-88-9) typically synthesized?

1-(4-Chlorophenyl)acetone is typically synthesized from 4-chlorophenylacetaldehyde by acetoxylation using acetic anhydride and a catalytic amount of sulfuric acid. The reaction yields a high purity product with good selectivity and a reasonable yield of 75-85%.

What industries use 1-(4-Chlorophenyl)acetone (CAS: 5586-88-9)?

1-(4-Chlorophenyl)acetone (CAS: 5586-88-9) is used in the pharmaceutical industry for the production of certain chiral compounds and intermediates. It is also used in the production of sensors and semiconductors due to its specific chemical properties.

What precautions should be taken when handling 1-(4-Chlorophenyl)acetone (CAS: 5586-88-9)?

When handling 1-(4-Chlorophenyl)acetone (CAS: 5586-88-9), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a sealed, dry container away from strong oxidizers and reduce agents. In case of spill, use appropriate spill kits and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for additional information and guidelines.