Description

4-Cyanobenzoyl chloride (CAS 6068-72-0) is a high-purity organic compound with the molecular formula C₈H₄ClNO, widely used in pharmaceutical and chemical synthesis. This reagent features a reactive benzoyl chloride group adjacent to a cyano substituent, making it a versatile intermediate for nucleophilic acyl substitution reactions. It is supplied as a crystalline solid or solution, ensuring optimal handling and storage stability. Ideal for peptide coupling, polymer modification, and specialty chemical production, our 4-Cyanobenzoyl chloride is rigorously tested for consistency, purity (>98%), and low moisture content. Suitable for advanced research, industrial applications, and fine chemical manufacturing under controlled conditions.

Properties

• CAS Number: 6068-72-0
• Complexity: 197
• IUPAC Name: 4-cyanobenzoyl chloride
• InChI: InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
• InChI Key: USEDMAWWQDFMFY-UHFFFAOYSA-N
• Exact Mass: 164.9981414
• Molecular Formula: C8H4ClNO
• Molecular Weight: 165.57
• SMILES: C1=CC(=CC=C1C#N)C(=O)Cl
• Topological: 40.9
• Monoisotopic Mass: 164.9981414
• Synonyms: 4-Cyanobenzoyl chloride, 6068-72-0, p-CYANOBENZOYL CHLORIDE, Benzoyl chloride, 4-cyano-, 4-cyanobenzoic acid chloride, Para-cyanobenzoyl chloride, UNII-2577FDE7A8, 4-(Chlorocarbonyl)benzonitrile, 2577FDE7A8, EINECS 228-005-5, Benzoyl chloride, p-cyano-, CHEBI:184302, DTXSID80209493, DTXCID00131984, 228-005-5, 4-Cyanobenzoylchloride, 4-Cyano-benzoyl chloride, MFCD00001822, 4cyanobenzoyl chloride, 4-cyano-benzoylchloride, 4-cyanobenzoyl-chloride, SCHEMBL1950, 4-Cyanobenzoyl chloride, 98%, CS-M3566, STR02292, SBB059843, AKOS008901131, DB-053689, NS00034431, ST51046108, F16199, EN300-1262985, Q27253923, F2146-0388

Application

4-Cyanobenzoyl chloride is primarily used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and liquid crystal materials. Its reactive acyl chloride group enables efficient coupling with amines or alcohols to form amides or esters, respectively. Researchers utilize it in polymer chemistry to modify resin properties or introduce cyano-functionalized aromatic groups. It also serves as a precursor for dyes, photoactive compounds, and corrosion inhibitors.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Eye Dam. 1 (83%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.