1-(4-Chlorophenyl)-1-propanone

Basic Information

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CAS Number

6285-05-8

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

Melting Point

34.0 to 37.0 deg-C

Boiling Point

152°C/30mmHg

Density

1.151

Refractive Index

1.5325-1.5345

SMILES

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

InChI

InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey

ADCYRBXQAJXJTD-UHFFFAOYSA-N

LogP

2.9327000000000014

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

137

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CAS-6285-05-8
4'-CHLOROPROPIOPHENON
p-Chloropropiophenone
UNII-26AY8WJA1E
NS00015734
C1616
1-(4-Chlorophenyl)-1-propanone
WLN: GR DV2
CHEMBL2251218
Tox21_303381
SY002144
Ethyl 4-chlorophenyl ketone
EN300-20251
4 inverted exclamation marka-Chloropropiophenone
4-Chloropropiophenone
Q27254084
4-07-00-00683 (Beilstein Handbook Reference)
USAF EK-5296
EINECS 228-511-6
NSC 5600
1-(4-chloro-phenyl)-propan-1-one
DTXSID1048203
NSC-5600
CS-W016035
NCGC00257311-01
BB 0221155
4`-Chloropropiophenone
AKOS000120501
4-Chlorophenyl Ethyl Ketone
S12307
4'-Chloropropiophenone, 98%

MDL Number

MFCD00000626

FAQ

What are the physical and chemical properties of 1-(4-Chlorophenyl)-1-propanone (CAS: 6285-05-8)?

1-(4-Chlorophenyl)-1-propanone is a colorless to light yellow liquid with a molecular weight of approximately 168.17 g/mol. It has a pKa of around 4.2 and is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive than some ketones due to the electron-withdrawing chlorine substituent, which decreases its reactivity in nucleophilic addition reactions.

How is 1-(4-Chlorophenyl)-1-propanone (CAS: 6285-05-8) typically synthesized?

1-(4-Chlorophenyl)-1-propanone can be synthesized via the Friedel-Crafts acylation of 4-chlorophenol with acetic anhydride in the presence of Lewis acids like aluminum chloride. The reaction is carried out at elevated temperatures, typically around 100°C, to ensure high yield and selectivity.

What industries use 1-(4-Chlorophenyl)-1-propanone (CAS: 6285-05-8)?

1-(4-Chlorophenyl)-1-propanone is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer, and in the production of sensors and semiconductors due to its functional groups that can be used in various chemical reactions.

What precautions should be taken when handling 1-(4-Chlorophenyl)-1-propanone (CAS: 6285-05-8)?

Proper protective equipment such as gloves, goggles, and a lab coat should be worn when handling 1-(4-Chlorophenyl)-1-propanone. It should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and the area should be properly ventilated. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.