Atomfair Methyl 4-hydroxy-2-methyl-5-nitrobenzoate C9H9NO5 CAS 1163281-04-6

Description

Methyl 4-hydroxy-2-methyl-5-nitrobenzoate (CAS No. 1163281-04-6) is a high-purity nitroaromatic compound with the molecular formula C₉H₉NO₅. This fine chemical is characterized by its hydroxyl and nitro functional groups attached to a methyl benzoate backbone, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 211.17 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency, stability, and trace solvent residues. Ideal for researchers developing novel bioactive molecules, this compound is packaged under inert gas in amber glass vials to ensure long-term stability. Available in quantities from 100mg to 10g, it includes comprehensive analytical data (NMR, MS, FTIR).

Properties

• CAS Number: 1163281-04-6
• Complexity: 262
• IUPAC Name: methyl 4-hydroxy-2-methyl-5-nitro-benzoate
• InChI: InChI=1S/C9H9NO5/c1-5-3-8(11)7(10(13)14)4-6(5)9(12)15-2/h3-4,11H,1-2H3
• InChI Key: FRVADWZGTAVQNX-UHFFFAOYSA-N
• Exact Mass: 211.04807239
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.17
• SMILES: CC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])O
• Topological: 92.4
• Monoisotopic Mass: 211.04807239
• Synonyms: methyl 4-hydroxy-2-methyl-5-nitrobenzoate, 1163281-04-6, 879-192-0, METHYL4-HYDROXY-2-METHYL-5-NITROBENZOATE, MFCD28291822, SCHEMBL2241736, FRVADWZGTAVQNX-UHFFFAOYSA-N, AKOS024438242, AS-33379, DB-417355

Application

Methyl 4-hydroxy-2-methyl-5-nitrobenzoate serves as a key building block in the synthesis of pharmaceutical intermediates, particularly for antibiotics and anti-inflammatory agents. Its nitro and ester functionalities make it suitable for electrophilic aromatic substitution reactions and catalytic hydrogenation studies. Researchers also utilize it in the development of UV-absorbing materials and as a precursor for dyes and pigments.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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

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