Description

3,5-Dimethylbenzoyl Chloride (CAS No. 6613-44-1) is a high-purity organic compound with the molecular formula C₉H₉ClO. This aromatic acyl chloride is a versatile reagent widely used in organic synthesis, pharmaceutical research, and specialty chemical manufacturing. The compound features a benzoyl chloride core substituted with two methyl groups at the 3 and 5 positions, enhancing its reactivity and selectivity in acylation reactions.

Our product is synthesized under stringent quality control measures to ensure >98% purity (GC), with rigorous testing for moisture, residual solvents, and other impurities. It is supplied in amber glass bottles under inert gas to prevent degradation, making it ideal for sensitive applications. Researchers value this compound for its role in synthesizing amides, esters, and ketones, as well as its utility in peptide coupling and polymer chemistry.

Key Features:

• High reactivity as an acylating agent
• Stable under recommended storage conditions (2-8°C, inert atmosphere)
• Compatible with Schlenk techniques and anhydrous reactions
• Available in research (5g, 25g) and bulk quantities (100g, 1kg)

Properties

• CAS Number: 6613-44-1
• Complexity: 146
• IUPAC Name: 3,5-dimethylbenzoyl chloride
• InChI: InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3
• InChI Key: ZJIOBDJEKDUUCI-UHFFFAOYSA-N
• Exact Mass: 168.0341926
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.62
• SMILES: CC1=CC(=CC(=C1)C(=O)Cl)C
• Topological: 17.1
• Monoisotopic Mass: 168.0341926
• Synonyms: 3,5-Dimethylbenzoyl chloride, Benzoyl chloride, 3,5-dimethyl-, DTXSID4064420, EC 413-010-9, DTXCID5044730, 413-010-9, 638-967-1, 6613-44-1, 3,5-dimethylbenzoylchloride, m-Xylene-5-carbonyl Chloride, 3,5-Dimethyl Benzoyl Chloride, 3,5 dimethylbenzoyl chloride, 3.5-dimethylbenzoyl chloride, SCHEMBL347092, 3,5-Dimethyl-benzoyl chloride, MFCD02313742, SBB067894, AKOS009217951, 3,5-dimethyl-1-benzenecarbonyl chloride, 3,5-Dimethylbenzoyl chloride, AldrichCPR, AS-13441, DB-022099, D3550, NS00008937, A24250, F2190-0042

Application

3,5-Dimethylbenzoyl Chloride serves as a key intermediate in pharmaceutical synthesis, particularly for creating active pharmaceutical ingredients (APIs) with dimethyl-substituted aromatic moieties. It is extensively used in Friedel-Crafts acylation reactions to introduce the 3,5-dimethylbenzoyl group into organic frameworks. The compound also finds application in material science for modifying polymer side chains and in agrochemical research for developing novel crop protection agents. Its reactivity makes it valuable for synthesizing photoactive compounds and liquid crystal precursors.

Safety and Hazards

GHS Hazard Statements

• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Skin Sens. 1 (100%)
• Eye Dam. 1 (66.7%)

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