Description

Methyl 5-nitrosalicylate (CAS No. 17302-46-4) is a high-purity nitro-substituted aromatic ester with the molecular formula C₈H₇NO₅. This compound, also known by its IUPAC name methyl 2-hydroxy-5-nitrobenzoate, is a versatile building block in organic synthesis and pharmaceutical research. Its crystalline structure and defined molecular weight (197.15 g/mol) make it ideal for precise applications. Suitable for HPLC, GC-MS, and NMR analysis, our product is rigorously tested to ensure ≥98% purity (HPLC grade) with trace metal content below 10 ppm. Packaged under inert gas in amber glass vials to prevent degradation, it is a critical reagent for nitrophenol derivatization studies and heterocyclic compound synthesis.

Properties

• CAS Number: 17302-46-4
• Complexity: 236
• IUPAC Name: methyl 2-hydroxy-5-nitro-benzoate
• InChI: InChI=1S/C8H7NO5/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,10H,1H3
• InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N
• Exact Mass: 197.03242232
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.14
• SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
• Topological: 92.4
• Monoisotopic Mass: 197.03242232
• Synonyms: methyl 2-hydroxy-5-nitrobenzoate, 17302-46-4, Methyl 5-nitrosalicylate, 1BZI3G8JIL, Methyl 5-nitro-2-hydroxybenzoate, EINECS 241-330-7, benzoic acid, 2-hydroxy-5-nitro-, methyl ester, DTXSID30169497, DTXCID0091988, 241-330-7, 5-nitrosalicylic acid methyl ester, MFCD00024695, 2-Hydroxy-5-nitrobenzoic acid methyl ester, methyl-5-nitrosalicylate, 2-Hydroxy-5-nitrobenzoic Acid Methyl Ester; Methyl 2-Hydroxy-5-nitrobenzoate; Methyl 5-Nitro-2-hydroxybenzoate; Methyl 5-Nitrosalicylate, UNII-1BZI3G8JIL, methyl 5-nitro-salicylate, Oprea1_013461, SCHEMBL391334, SCHEMBL13858435, Methyl-2-hydroxy-5-nitrobenzoate, methyl-2-hydroxy-5-nitro-benzoate, ALBB-025746, SBB072668, STL577361, AKOS002254529, CS-W013211, FM37814, AC-25152, AS-10806, SY056854, DB-043920, NS00025668, ST45028868, H11277, EN300-6729451

Application

Methyl 5-nitrosalicylate serves as a key intermediate in the synthesis of pharmaceutical agents, particularly nonsteroidal anti-inflammatory drugs (NSAIDs) and nitrophenol-based inhibitors. Researchers utilize it to develop novel UV-absorbing materials due to its nitro-aromatic chromophore properties. In agrochemical research, it acts as a precursor for herbicidal compounds targeting tyrosine nitration pathways.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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