Description

Methyl 3,5-dinitrobenzoate (CAS No. 2702-58-1) is a high-purity chemical compound with the molecular formula C₈H₆N₂O₆. This ester derivative of 3,5-dinitrobenzoic acid is widely utilized in analytical chemistry, pharmaceutical research, and organic synthesis. With a purity of 99%, our product is ideal for use as a reference standard in quantitative NMR (TraceCERT^®) and other spectroscopic techniques. It is available in various packaging options to meet laboratory-scale and industrial requirements. Store in a cool, dry place away from direct sunlight and incompatible materials.

Properties

• CAS Number: 2702-58-1
• Complexity: 285
• IUPAC Name: methyl 3,5-dinitrobenzoate
• InChI: InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
• InChI Key: POGCCFLNFPIIGW-UHFFFAOYSA-N
• Exact Mass: 226.02258592
• Molecular Formula: C8H6N2O6
• Molecular Weight: 226.14
• SMILES: COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
• Topological: 118
• Monoisotopic Mass: 226.02258592
• Synonyms: Methyl 3,5-dinitrobenzoate, 2702-58-1, Benzoic acid, 3,5-dinitro-, methyl ester, UB421R8G90, NSC 7317, NSC-7317, EINECS 220-289-9, 3,5-Dinitrobenzoic acid methyl ester, DTXSID60871874, DTXCID70819489, Benzoic acid, 3,5-dinitro-, methyl ester (8CI), Benzoic acid, 3,5-dinitro-, methyl ester (8CI)(9CI), 220-289-9, Methyl3,5-dinitrobenzoate, MFCD00017016, 3,5-dinitro-benzoic acid methyl ester, U300, SCHEMBL418416, UNII-UB421R8G90, CHEMBL2252127, SCHEMBL11221464, NSC7317, Methyl 3,5-dinitrobenzoate, 99%, ALBB-024845, BBL000013, SBB068882, STK386186, AKOS001027311, FM58879, GS-3276, AC-25711, SY074610, NS00049429, ST45027982, VU0549299-1, EN300-264678, AC-907/34105063, Z56823064, F9995-0127, Methyl 3,5-dinitrobenzoate, Standard for quantitative NMR, TraceCERT(R), InChI=1/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H

Methyl 3,5-dinitrobenzoate serves as a key intermediate in the synthesis of fine chemicals and pharmaceuticals. It is commonly used as a derivatization agent for the identification of alcohols and phenols via GC-MS or HPLC analysis. This compound is also employed in research involving nitroaromatic chemistry and explosive detection methodologies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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