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Atomfair Methyl 3,5-dinitrobenzoate C8H6N2O6 CAS 2702-58-1

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.

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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%)

If you are interested or have any questions, please contact us at support@atomfair.com

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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