Description

3-Methoxy-2-nitrobenzoic acid (CAS No. 4920-80-3) is a high-purity nitro-substituted benzoic acid derivative with the molecular formula C₈H₇NO₅. This fine chemical is characterized by its pale crystalline appearance and is extensively utilized in organic synthesis and pharmaceutical research. With an IUPAC name of 3-methoxy-2-nitrobenzoic acid, it offers excellent reactivity for electrophilic aromatic substitution and carboxyl group transformations. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed packaging under inert conditions to guarantee stability. Ideal for use as a building block in heterocyclic chemistry, this compound is a valuable reagent for researchers developing novel drug candidates or agrochemicals.

Key Specifications:
• Molecular Weight: 197.15 g/mol
• Melting Point: 158-162°C
• Solubility: Soluble in DMSO, methanol; slightly soluble in water
• Storage: Store at 2-8°C in a dry environment

Properties

• CAS Number: 4920-80-3
• Complexity: 236
• IUPAC Name: 3-methoxy-2-nitro-benzoic acid
• InChI: InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
• InChI Key: YMOMYSDAOXOCID-UHFFFAOYSA-N
• Exact Mass: 197.03242232
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.14
• SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O
• Topological: 92.4
• Monoisotopic Mass: 197.03242232
• Synonyms: 3-Methoxy-2-nitrobenzoic acid, 4920-80-3, Benzoic acid, 3-methoxy-2-nitro-, 2-Nitro-3-methoxybenzoic acid, m-Anisic acid, 2-nitro-, NSC 609, EINECS 225-549-5, YMOMYSDAOXOCID-UHFFFAOYSA-, DTXSID10197718, DTXCID70120209, Benzoic acid, 3-methoxy-2-nitro-(9CI), 225-549-5, inchi=1/c8h7no5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4h,1h3,(h,10,11), ymomysdaoxocid-uhfffaoysa-n, 2-Nitro-m-anisic Acid, MFCD00007143, 3-Methoxy-2-nitrobenzoicacid, NSC609, SCHEMBL104452, 3-methoxy-2-nitro benzoic acid, 3-methoxy-2-nitro-benzoic acid, NSC-609, CL8090, SBB028522, 3-Methoxy-2-nitrobenzoic acid, 96%, AKOS003242115, CS-W008339, FM70280, AC-28705, AS-17854, BP-12760, SY027418, DB-013320, M1036, NS00031870, ST45026887, EN300-90519, F1905-7200, 2-Nitro-3-anisic acid;2-Methoxy-2-nitrobenzoic acid;2-Nitro-3-methoxybenzoic acid

Application

3-Methoxy-2-nitrobenzoic acid serves as a versatile intermediate in medicinal chemistry for the synthesis of benzodiazepine analogs and non-steroidal anti-inflammatory drug (NSAID) precursors. The compound’s nitro and carboxyl functional groups make it particularly useful for palladium-catalyzed coupling reactions in pharmaceutical development. Researchers employ this chemical in the construction of complex organic molecules through sequential functionalization of its aromatic ring. It also finds application in materials science as a monomer for specialty polymers with nitroaromatic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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