4-cyanobenzoyl chloride(CAS: 6068-72-0)

CAS Number
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Basic Information
Molecular Formula
C8H4ClNO
Molecular Weight
165.57 g/mol
Physical Properties
Melting Point
68-70 °C (lit.)
Boiling Point
110°C/2mmHg(lit.)
Density
1.2744 (rough estimate)
Flash Point
128.9 °C
Water Solubility
Reacts with water.
Chemical Identifiers
SMILES
C1=CC(=CC=C1C#N)C(=O)Cl
InChIKey
USEDMAWWQDFMFY-UHFFFAOYSA-N
Database References
MDL Number
MFCD00001822
Beilstein Registry Number
386729
FAQ
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.
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.
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.
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.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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