Description

4-Butylbenzoyl chloride (CAS 28788-62-7) is a high-purity organic compound with the molecular formula C₁₁H₁₃ClO. This versatile reagent is widely used in synthetic organic chemistry, particularly in the preparation of esters, amides, and other derivatives via acyl chloride reactions. Its unique structure, featuring a butyl group para to the reactive benzoyl chloride moiety, makes it an excellent building block for pharmaceuticals, agrochemicals, and advanced materials. Our product is rigorously tested to ensure ≥97% purity, making it ideal for research and industrial applications where consistency and reliability are critical. Packaged under inert conditions to prevent degradation, this compound is supplied in amber glass bottles to maintain stability and shelf life.

Properties

• CAS Number: 28788-62-7
• Complexity: 159
• IUPAC Name: 4-butylbenzoyl chloride
• InChI: InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
• InChI Key: OUOWCSJYDCPVDM-UHFFFAOYSA-N
• Exact Mass: 196.0654927
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.67
• SMILES: CCCCC1=CC=C(C=C1)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 196.0654927
• Synonyms: 4-Butylbenzoyl chloride, 4-n-Butylbenzoyl chloride, Benzoyl chloride, 4-butyl-, p-Butylbenzoyl chloride, EINECS 249-224-2, DTXSID1067413, DTXCID4037871, 249-224-2, ouowcsjydcpvdm-uhfffaoysa-n, 28788-62-7, 4-n-Butylbenzoylchloride, 4-N-ButYl-Benzoyl Chloride, 4-(But-1-yl)benzoyl chloride, MFCD00000699, 4-butylbenzoylchloride, p-n-butyl benzoylchloride, p-n-butylbenzoyl chloride, 4-1-butylbenzoyl chloride, 4-n-butyl benzoyl chloride, p-butylbenzoic acid chloride, 4-(n-butyl)benzoyl chloride, 4-butylbenzoyl chloride (en), 4-Butylbenzoyl chloride, 97%, SCHEMBL1020423, 4-butyl-1-benzenecarbonyl chloride, AKOS004908255, BS-43970, DB-047456, B2297, NS00028544, ST51039954, F20426

4-Butylbenzoyl chloride is primarily employed as an acylating agent in organic synthesis, enabling the introduction of the 4-butylbenzoyl group into target molecules. It finds applications in the preparation of liquid crystal intermediates, pharmaceutical precursors, and specialty polymers. Researchers also utilize it in peptide coupling reactions and as a reagent for modifying surface functionalities in material science. Its reactivity with nucleophiles (e.g., alcohols, amines) makes it valuable for creating custom derivatives in drug discovery.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (88.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Eye Dam. 1 (90.9%)
• STOT SE 3 (88.6%)

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