4-cyanobenzoyl chloride

Basic Information

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CAS Number

6068-72-0

Molecular Formula

C8H4ClNO

Molecular Weight

165.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

68-70 °C

Boiling Point

110°C/2mmHg

Density

1.2744 (rough estimate)

Water Solubility

Reacts with water.

Flash Point

128.9 °C

Refractive Index

1.5430 (estimate)

SMILES

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C1=CC(=CC=C1C#N)C(=O)Cl

InChI

InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H

InChIKey

USEDMAWWQDFMFY-UHFFFAOYSA-N

LogP

1.93728

Complexity

197

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

A832843
4-Cyanobenzoylchloride
6068-72-0
4-Cyano-benzoyl chloride
2577FDE7A8
Benzoyl chloride, 4-cyano-
MFCD00001822
F2146-0388
USEDMAWWQDFMFY-UHFFFAOYSA-N
CHEBI:184302
FT-0618300
4-cyano-benzoylchloride
DTXSID80209493
EN300-1262985
Q27253923
4cyanobenzoyl chloride
Para-cyanobenzoyl chloride
p-CYANOBENZOYL CHLORIDE
NS00034431
CS-M3566
EINECS 228-005-5
UNII-2577FDE7A8
F16199
4-Cyanobenzoyl chloride, 98%
4-cyanobenzoic acid chloride
4-cyanobenzoyl-chloride
SCHEMBL1950
4-(Chlorocarbonyl)benzonitrile
AKOS008901131
4-Cyanobenzoyl chloride
Benzoyl chloride, p-cyano-

MDL Number

MFCD00001822

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-cyanobenzoyl chloride (CAS: 6068-72-0)?

4-Cyanobenzoyl chloride is a white crystalline solid with a high melting point of 95-96°C. Its molecular weight is approximately 223.17 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and dichloromethane. The compound is highly reactive, especially towards nucleophiles, and undergoes substitution reactions readily.

How is 4-cyanobenzoyl chloride (CAS: 6068-72-0) typically synthesized?

4-Cyanobenzoyl chloride is typically synthesized by the reaction of 4-cyanobenzoic acid or 4-cyanobenzoyl halide with thionyl chloride. The reaction is carried out in a solvent such as toluene or dichloromethane at room temperature with good yields and high selectivity.

What industries use 4-cyanobenzoyl chloride (CAS: 6068-72-0)?

4-Cyanobenzoyl chloride finds applications in pharmaceuticals, where it serves as an intermediate in the synthesis of drugs. It is also used in the production of dyes, pigments, and as a reagent in polymer chemistry and semiconductor materials.

What precautions should be taken when handling 4-cyanobenzoyl chloride (CAS: 6068-72-0)?

Proper handling of 4-cyanobenzoyl chloride requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for detailed spill management procedures.