2-Chloro-1-(3-chlorophenyl)ethanone

Basic Information

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CAS Number

21886-56-6

Molecular Formula

C8H6Cl2O

Molecular Weight

189.04 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

41-43°C

Boiling Point

283.7 ℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C8H6Cl2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChIKey

AVUVSYIYUADCKE-UHFFFAOYSA-N

LogP

2.7615000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

147

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

Ethanone, 2-chloro-1-(3-chlorophenyl)-
2-chloro-1-(3'-chlorophenyl)ethanone
2-chloro-1-(3-chlorophenyl)ethanone
AS-15435
SCHEMBL97933
3-chlorophenacyl chloride
2-chloro-1-(3'-chlorophenyl) ethanone
21886-56-6
2,3'-Dichloroacetophenone
2-Chloro-3'-chloroacetophenone
2-chloro-1-(3-chlorophenyl)ethane-1-one
CS-0005773
AVUVSYIYUADCKE-UHFFFAOYSA-N
AM851
DTXSID7073432
m-chlorophenacyl chloride
AC-1900
A852387
2-chloro-1-(3-chlorophenyl)ethan-1-one
2 pound not3'-Dichloroacetophenone
FT-0652152
MFCD07783975
AKOS010997147
2-Chloro-1-(3-chlorophenyl)ethanone
3-CHLOROPHENACYL CHLORIDE
A,3-DICHLOROACETOPHENONE
α,3-DICHLOROACETOPHENONE
3-CHLORO-ALPHA-CHLOROACETOPHENONE
alpha ,3-Dichloroacetophenone
2-chloro-3'-chloroacetophenone
3-chlorophenyl chloromethyl ketone

MDL Number

MFCD07783975

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6)?

2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6) is a white crystalline solid with a molecular weight of approximately 212.03 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can undergo hydrolysis and chlorination under acidic or basic conditions. It is used in various chemical processes and has a pKa of around 6.5.

How is 2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6) typically synthesized?

2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6) can be synthesized via the acylation of 3-chlorophenylmethanol with chloroacetyl chloride. The reaction is catalyzed by a Lewis acid such as aluminum chloride. The yield is typically around 70-80%. The process requires careful monitoring of temperature and pH to ensure high selectivity and yield.

What industries use 2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6)?

2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6) is primarily used in the pharmaceutical and fine chemical industries. It serves as an important intermediate in the synthesis of various organic compounds, including pharmaceuticals. Additionally, it finds applications in the production of dyes, polymers, and other chemical products.

What precautions should be taken when handling 2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6)?

When handling 2-Chloro-1-(3-chlorophenyl)ethanone (CAS: 21886-56-6), it is essential to use proper Personal Protective Equipment (PPE), including gloves, goggles, and a lab coat. This compound should be handled in a fume hood to minimize exposure to vapors. In case of a spill, neutralize any acid or base and dispose of the material according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.