2,4-Dichlorobenzoyl chloride

Basic Information

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CAS Number

89-75-8

Molecular Formula

C7H3Cl3O

Molecular Weight

209.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

16-18 °C

Boiling Point

150 °C/34 mmHg

Density

1.494 g/mL at 25 °C

Water Solubility

Reacts with water. Soluble in toluene.

Refractive Index

n20/D 1.592(lit.)

Vapor Pressure

0.1 mm Hg ( 32 °C)

SMILES

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

InChI

InChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H

InChIKey

CEOCVKWBUWKBKA-UHFFFAOYSA-N

LogP

3.3724000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

160

Safety Information

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GHS Hazard Pictograms

H314

H335

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

NCGC00357146-01
2,4-dichloro benzoylchloride
EINECS 201-936-4
MFCD00000661
2,4-Dichlorobenzoylchloride
2,4-dichlorobenzene-1-carbonyl chloride
Q-200184
STR00436
CHEMBL3561077
BP-21168
2.4-dichlorobenzoyl chloride
CCRIS 8616
InChI=1/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H
CAS-89-75-8
EN300-19509
F2190-0070
AI3-14890
2,4-dichlorbenzoylchlorid
BCP32977
Tox21_303889
2,4-Dichlorobenzoic acid chloride
D0345
89-75-8
2,4-Dichlorobenzoyl chloride, 98%
2,4-Dichlorobenzenecarbonylchloride;Benzoyl chloride, 2,4-dichloro-
2,4-dichloro-1-benzenecarbonyl chloride
2,4-Dichlorobenzoyl chloride
CEOCVKWBUWKBKA-UHFFFAOYSA-
EC 201-936-4
LS-42601
E78868

MDL Number

MFCD00000661

Customs Code

29163900

FAQ

What are the physical and chemical properties of 2,4-Dichlorobenzoyl chloride (CAS: 89-75-8)?

2,4-Dichlorobenzoyl chloride (CAS: 89-75-8) is a white crystalline solid with a molecular weight of 216.02 g/mol. It has a low solubility in water (0.02 g/100 mL at 20°C) but is more soluble in organic solvents like methanol and ethanol. It is highly reactive, particularly with nucleophiles, and dehydrates to form 2,4-dichlorobenzoyl hydrochloride under basic conditions.

How is 2,4-Dichlorobenzoyl chloride (CAS: 89-75-8) typically synthesized?

2,4-Dichlorobenzoyl chloride is typically synthesized by the reaction of 2,4-dichlorobenzoic acid with thionyl chloride. The reaction is carried out under anhydrous conditions to improve yield and selectivity. Additional methods include the chlorination of benzoic acid or 2,4-dichlorobenzoic acid with phosphorus oxychloride or phosphorus chlorochloridate.

What industries use 2,4-Dichlorobenzoyl chloride (CAS: 89-75-8)?

2,4-Dichlorobenzoyl chloride is used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs). It is also utilized in the polymer industry as a monomer for the production of various polymer materials, in the sensor industry for developing gas sensors, and in the semiconductor industry for certain etching processes.

What precautions should be taken when handling 2,4-Dichlorobenzoyl chloride (CAS: 89-75-8)?

When handling 2,4-Dichlorobenzoyl chloride (CAS: 89-75-8), it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. It should be handled under a fume hood due to its strong volatility and reactivity. Proper spill handling procedures should be followed, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.