Description

2-Methylbenzoyl chloride (CAS No. 933-88-0) is a highly reactive organic compound with the molecular formula C₈H₇ClO. This clear to pale yellow liquid is a versatile acylating agent widely used in organic synthesis and pharmaceutical research. As an ortho-substituted benzoyl chloride derivative, it offers unique reactivity patterns due to steric and electronic effects. The compound should be stored under inert atmosphere at 2-8°C to prevent hydrolysis. Typical purity ≥97% by GC analysis. Available in amber glass bottles or sealed ampules to ensure stability.

Key applications include: peptide coupling reactions, synthesis of pharmaceutical intermediates, and preparation of specialty chemicals. Reacts vigorously with nucleophiles including water, alcohols, and amines. Proper handling requires anhydrous conditions and appropriate personal protective equipment.

Synonyms: o-Toluoyl chloride, o-Methylbenzoyl chloride

Properties

• CAS Number: 933-88-0
• Complexity: 133
• IUPAC Name: 2-methylbenzoyl chloride
• InChI: InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
• InChI Key: GPZXFICWCMCQPF-UHFFFAOYSA-N
• Exact Mass: 154.0185425
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.59
• SMILES: CC1=CC=CC=C1C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 154.0185425
• Synonyms: o-Toluoyl chloride, 933-88-0, 2-Methylbenzoyl chloride, Benzoyl chloride, 2-methyl-, o-Methylbenzoyl chloride, 2-Toluoyl chloride, o-Toluic acid chloride, 2-methylbenzoic acid chloride, EINECS 213-273-8, J9YKN18E7R, CCRIS 8618, DTXSID1061314, DTXCID3048861, 213-273-8, inchi=1/c8h7clo/c1-6-4-2-3-5-7(6)8(9)10/h2-5h,1h, Methylbenzoyl chloride, 37808-28-9, 2-Methyl-Benzoyl Chloride, 2-methylbenzoylchloride, 2-methyl benzoyl chloride, UNII-J9YKN18E7R, Toluoylchloride, o-toloyl chloride, o-toluic chloride, 2-Methylbenzoic Acid Chloride; 2-Methylbenzoyl Chloride; 2-Toluoyl Chloride; o-Methylbenzoyl Chloride; o-Toluic Acid Chloride, EINECS 253-674-5, orthotoluoyl chloride, MFCD00000668, o-methylbenzoylchloride, ortho-toluoyl chloride, o-Toluoyl chloride, 99%, SCHEMBL93382, 2-methyl-benzoic acid chloride, STR00279, STL141092, AKOS005256976, FT63510, DB-057397, DB-265530, NS00039553, ST51037909, T0310, EN300-56164, Q27281395, F2190-0039

Application

2-Methylbenzoyl chloride serves as a key reagent for introducing the 2-methylbenzoyl moiety in organic synthesis. It is particularly valuable in pharmaceutical manufacturing for producing active pharmaceutical ingredients (APIs) and intermediates. The compound finds use in peptide chemistry as an N-acylating agent. Researchers also employ it in materials science for modifying polymer properties. Its reactivity makes it suitable for Friedel-Crafts acylation reactions in fine chemical production.

Safety and Hazards

GHS Hazard Statements

• H290 (69.9%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (69.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (94.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (69.9%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (69.9%)
• STOT SE 3 (94.1%)

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