Description

2-Chloro-6-methylbenzoic acid (CAS No. 21327-86-6) is a high-purity organic compound with the molecular formula C₈H₇ClO₂. This white to off-white crystalline powder is a versatile intermediate widely used in pharmaceutical synthesis, agrochemical production, and advanced material research. With a molecular weight of 170.59 g/mol, this benzoic acid derivative features a chloro substituent at the 2-position and a methyl group at the 6-position, offering unique reactivity for electrophilic aromatic substitution and carboxylate chemistry. Our product is rigorously tested to meet the highest purity standards (>98% by HPLC), with comprehensive analytical data including ¹H NMR, ¹³C NMR, and FTIR spectra available upon request. Suitable for research scale to kilo lab production, each batch is accompanied by a Certificate of Analysis ensuring traceability and quality consistency. Packaged under inert atmosphere in amber glass bottles or double-sealed polymer bags to ensure stability during storage and shipping.

Properties

• CAS Number: 21327-86-6
• Complexity: 158
• IUPAC Name: 2-chloro-6-methyl-benzoic acid
• InChI: InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: CEFMMQYDPGCYMG-UHFFFAOYSA-N
• Exact Mass: 170.0134572
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.59
• SMILES: CC1=C(C(=CC=C1)Cl)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 170.0134572
• Synonyms: 2-Chloro-6-methylbenzoic acid, 674-036-6, 21327-86-6, 6-Chloro-o-toluic acid, 2-chloro-6-methyl-benzoic acid, Benzoic acid, 2-chloro-6-methyl-, o-Toluic acid, 6-chloro-, MFCD00045799, 2-Chloro-6-methylbenzoicacid, 6-chloro-2-methylbenzoic acid, Benzoic acid, 6-chloro-4-methyl-, chloro-6-methylbenzoic acid, 2-chloro-6methylbenzoic acid, 2chloro-6-methylbenzoic acid, SCHEMBL484445, SCHEMBL8478042, 2-Chloro-6-methyl benzoic acid, DTXSID40175600, CEFMMQYDPGCYMG-UHFFFAOYSA-N, BCP15903, CS-M3425, BBL101231, SBB064651, STL555027, AKOS005258167, AC-9038, FC55107, FS-1529, SB35389, BP-13148, SY012233, 2-Chloro-6-methylbenzoic acid, AldrichCPR, DB-006082, C2776, ST50408363, EN300-116590, AE-562/43460143, F0001-0761, Z1201618083

Application

2-Chloro-6-methylbenzoic acid serves as a key building block in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and other pharmacologically active compounds. In agrochemical research, it functions as an intermediate for developing novel herbicides and plant growth regulators. The compound’s bifunctional reactivity makes it valuable for creating complex molecular architectures in materials science, particularly in liquid crystal and polymer precursor synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (81.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (18.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (81.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (81.2%)
• Skin Irrit. 2 (18.8%)
• Eye Dam. 1 (81.2%)
• Eye Irrit. 2A (18.8%)
• STOT SE 3 (14.6%)

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