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Atomfair Benzoic acid, 3-methyl-2-nitro-, methyl ester C9H9NO4 CAS 5471-82-9

Methyl 3-methyl-2-nitrobenzoate (CAS No. 5471-82-9) is a high-purity nitroaromatic ester with the molecular formula C9H9NO4. This compound is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its well-defined structure, featuring a methyl ester group adjacent to a nitro substituent on a methylated benzene ring, makes it a versatile building block for nucleophilic substitution and reduction reactions. Available in >98% purity (GC), this product is rigorously tested for consistency and stability, ensuring optimal performance in research and industrial applications. Packaged under inert gas to prevent degradation, it is supplied in amber glass vials…

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Description

Methyl 3-methyl-2-nitrobenzoate (CAS No. 5471-82-9) is a high-purity nitroaromatic ester with the molecular formula C9H9NO4. This compound is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its well-defined structure, featuring a methyl ester group adjacent to a nitro substituent on a methylated benzene ring, makes it a versatile building block for nucleophilic substitution and reduction reactions. Available in >98% purity (GC), this product is rigorously tested for consistency and stability, ensuring optimal performance in research and industrial applications. Packaged under inert gas to prevent degradation, it is supplied in amber glass vials or bulk quantities with detailed technical data sheets.

Properties

  • CAS Number: 5471-82-9
  • Complexity: 235
  • IUPAC Name: methyl 3-methyl-2-nitro-benzoate
  • InChI: InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3
  • InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N
  • Exact Mass: 195.05315777
  • Molecular Formula: C9H9NO4
  • Molecular Weight: 195.17
  • SMILES: CC1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-]
  • Topological: 72.1
  • Monoisotopic Mass: 195.05315777
  • Synonyms: Methyl 3-methyl-2-nitrobenzoate, 5471-82-9, Benzoic acid, 3-methyl-2-nitro-, methyl ester, 3-Methyl-2-nitrobenzoic Acid Methyl Ester, 67XCE2UHV8, NSC 28461, NSC-28461, DTXSID6063933, 2-NITRO-3-METHYLBENZOIC ACID METHYL ESTER, DTXCID8041791, methyl 3-methyl-2-nitrobenzenecarboxylate, 2-Nitro-3-methylbenzoic acid, methyl ester, MFCD01003947, methyl3-methyl-2-nitrobenzoate, Methyl 3-Methyl-2-nitro benzoate, NSC28461, UNII-67XCE2UHV8, SCHEMBL1032670, methyl 2-nitro-3-methylbenzoate, SCHEMBL16961233, BCP27599, CS-M3738, SBB053712, AKOS005069627, AC-5779, FM70380, 2-methyl-6-methoxycarbonyl-nitrobenzene, SY017255, 3-methyl-2-nitro-benzoic acid methyl ester, 3-Methyl-2-Nitrobenzoic Acid,Methyl Ester, M2213, ST50949683, 11X-0063

Application

Methyl 3-methyl-2-nitrobenzoate serves as a key precursor in the synthesis of fine chemicals and active pharmaceutical ingredients (APIs), particularly in constructing heterocyclic frameworks. Its nitro group enables facile reduction to amines for further functionalization, while the ester moiety allows hydrolysis or transesterification. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions and as a substrate for studying electrophilic aromatic substitution kinetics. In material science, it contributes to the development of nitroaromatic-based polymers with tailored electronic 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 (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. 2 (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.

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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