4-Chloro-2-fluorobenzoyl chloride

Basic Information

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CAS Number

394-39-8

Molecular Formula

C7H3Cl2FO

Molecular Weight

193 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

205.5°Cat760mmHg

Density

1.462

Flash Point

78.1°C

Refractive Index

1.536

SMILES

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C1=CC(=C(C=C1Cl)F)C(=O)Cl

InChI

InChI=1S/C7H3Cl2FO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H

InChIKey

PWHFJLCMUCFYRQ-UHFFFAOYSA-N

LogP

2.8581000000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

163

Safety Information

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Hazard Statement

Hazard Class

Class CORROSIVE Class CORROSIVE

Synonyms & References

English

4-Chloro-2-fluorobenzoyl chloride
DTXSID10378585
4-chloro-2-fluoro-benzoyl chloride
2-fluoro-4-chlorobenzoyl chloride
2-fluoro-4-chlorobenzoylchloride
2-fluoro4-chloro-benzoyl chloride
PWHFJLCMUCFYRQ-UHFFFAOYSA-N
2-fluoro-4-chloro-benzoyl chloride
4-chloranyl-2-fluoranyl-benzoyl chloride
4-chloro-2-fluorobenzoylchloride
SCHEMBL645757
AKOS007930521
394-39-8
PS-10775
FT-0632079
A824550
MFCD03093845
E85346
2-Fluoro-4-chlorobenzoyl chloride

MDL Number

MFCD03093845

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Chloro-2-fluorobenzoyl chloride (CAS: 394-39-8)?

4-Chloro-2-fluorobenzoyl chloride is a white to off-white crystalline solid with a molecular weight of approximately 225.58 g/mol. It is sparingly soluble in water but soluble in organic solvents. This compound is highly reactive, particularly towards nucleophiles, making it a potent electrophile in organic synthesis. It has a pKa of around 20, indicating its acidic nature.

How is 4-Chloro-2-fluorobenzoyl chloride (CAS: 394-39-8) typically synthesized?

4-Chloro-2-fluorobenzoyl chloride is typically synthesized by chlorination of 2-fluorobenzoyl chloride with chlorine gas in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction is conducted in a suitable organic solvent, and the yield can be improved by optimizing the reaction conditions and using appropriate catalysts.

What industries use 4-Chloro-2-fluorobenzoyl chloride (CAS: 394-39-8)?

4-Chloro-2-fluorobenzoyl chloride is used primarily in the pharmaceutical industry for the synthesis of various drug intermediates. It is also employed in the polymer industry for modifying polymers and in the electronics industry for use in semiconductor materials and sensors due to its functional groups that can participate in chemical reactions.

What precautions should be taken when handling 4-Chloro-2-fluorobenzoyl chloride (CAS: 394-39-8)?

Handling 4-Chloro-2-fluorobenzoyl chloride requires strict safety measures. It should be conducted in a well-ventilated area with a fume hood. Personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. Spills should be handled with caution, using appropriate absorbent materials, and the area should be cleaned with neutralizing agents. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.