Description

Methyl 2-chloro-4-nitrobenzoate (CAS No. 13324-11-3) is a high-purity organic compound with the molecular formula C₈H₆ClNO₄. This aromatic ester is characterized by its chloro and nitro functional groups at the 2- and 4-positions of the benzoate ring, respectively, making it a versatile intermediate in synthetic organic chemistry. It is supplied as a crystalline solid with a consistent purity of ≥98% (HPLC), ensuring reliability for research and industrial applications. Ideal for use in pharmaceutical synthesis, agrochemical development, and material science, this compound is packaged under inert conditions to maintain stability. Available in quantities ranging from grams to kilograms, it is suitable for both laboratory-scale experiments and bulk manufacturing.

Properties

• CAS Number: 13324-11-3
• Complexity: 240
• IUPAC Name: methyl 2-chloro-4-nitro-benzoate
• InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
• InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N
• Exact Mass: 214.9985354
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.59
• SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
• Topological: 72.1
• Monoisotopic Mass: 214.9985354
• Synonyms: Methyl 2-chloro-4-nitrobenzoate, Benzoic acid, 2-chloro-4-nitro-, methyl ester, 2-Chloro-4-nitrobenzoic Acid Methyl Ester, F9KQ5NY29Z, EINECS 236-362-3, 4-nitro-2-chlorobenzoic acid methyl ester, DTXSID30158023, DTXCID7080514, 236-362-3, picnsxcjrmyanx-uhfffaoysa-n, 13324-11-3, MFCD00017013, METHYL2-CHLORO-4-NITROBENZOATE, 2-chloro-4-nitro-benzoic acid methyl ester, Maybridge1_005088, UNII-F9KQ5NY29Z, SCHEMBL222270, SCHEMBL9653401, HMS555P06, AB7493, SBB095154, STK361846, AKOS000371685, CCG-251131, FM71185, 2-Chloro-4-nitrobenzoic acid methylester, KM 08842, SY071687, DB-042169, CS-0099155, M1724, NS00024270, ST50307802, EN300-127663, Q63398630

Application

Methyl 2-chloro-4-nitrobenzoate is widely employed as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) with nitro-aromatic scaffolds. Its reactive sites make it valuable for cross-coupling reactions and nucleophilic substitutions in agrochemical research. Additionally, it serves as a precursor for dyes and advanced materials due to its electron-withdrawing nitro group.

Safety and Hazards

GHS Hazard Statements

• H302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (11.4%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (86.4%)
• Skin Irrit. 2 (13.6%)
• Eye Irrit. 2 (13.6%)
• STOT SE 3 (11.4%)

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