Cas no 62621-09-4 (methyl 2-methyl-4-nitro-benzoate)

Methyl 2-methyl-4-nitro-benzoate is a nitro-substituted aromatic ester with the molecular formula C?H?NO?. This compound is characterized by its methyl ester group at the 1-position and a nitro group at the 4-position of the benzene ring, with an additional methyl substituent at the 2-position. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The nitro group enhances reactivity for further functionalization, while the ester moiety allows for hydrolysis or transesterification. Its well-defined structure and stability under standard conditions make it a reliable reagent for targeted synthetic applications.
methyl 2-methyl-4-nitro-benzoate structure
62621-09-4 structure
Product Name:methyl 2-methyl-4-nitro-benzoate
CAS No:62621-09-4
MF:C9H9NO4
MW:195.172062635422
MDL:MFCD03618407
CID:499589
PubChem ID:253661899
Update Time:2025-06-15

methyl 2-methyl-4-nitro-benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-methyl-4-nitrobenzoate
    • 2-methyl-4-nitroBenzoic acid methyl ester
    • Benzoicacid, 2-methyl-4-nitro-, methyl ester
    • Methyl 4-Nitro-2-Methylbenzoate
    • 2-Methyl-4-nitro-benzoesaeure-methylester
    • methyl-4-nitro-2-methyl-benzoate
    • Methyl 4-Nitro-o-toluate
    • 4-Nitro-o-toluic Acid Methyl Ester
    • 2-METHYL-4-NITRO-BENZOIC ACID METHYL ESTER
    • Benzoic acid, 2-methyl-4-nitro-, methyl ester
    • JJHCLPDHYBSSHC-UHFFFAOYSA-N
    • SBB053732
    • KM0642
    • TRA0053065
    • RP25361
    • SY006876
    • M2545
    • methyl 2-methyl-4-nitro-benzoate
    • MFCD03618407
    • A852063
    • FT-0647220
    • DTXSID70568026
    • WFH9F997GL
    • Methyl2-Methyl-4-nitrobenzoate
    • 62621-09-4
    • AMY854
    • SCHEMBL1163261
    • AS-31330
    • AE-562/43460703
    • o-Toluic acid, 4-nitro-, methyl ester
    • J-522046
    • CS-0044777
    • AKOS011107273
    • PB48456
    • DB-073161
    • MDL: MFCD03618407
    • Inchi: 1S/C9H9NO4/c1-6-5-7(10(12)13)3-4-8(6)9(11)14-2/h3-5H,1-2H3
    • InChI Key: JJHCLPDHYBSSHC-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(=CC=1C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 195.05300
  • Monoisotopic Mass: 195.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 72.1
  • XLogP3: 2

Experimental Properties

  • Density: 1.255±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 74.0 to 78.0 deg-C
  • Boiling Point: 315.445 ℃ at 760 mmHg
  • Flash Point: 148.51℃
  • Refractive Index: 1.548
  • Solubility: Very slightly soluble (0.57 g/l) (25 o C),
  • PSA: 72.12000
  • LogP: 2.21300

methyl 2-methyl-4-nitro-benzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on methyl 2-methyl-4-nitro-benzoate

Comprehensive Overview of Methyl 2-Methyl-4-Nitro-Benzoate (CAS No. 62621-09-4): Properties, Applications, and Industry Insights

Methyl 2-methyl-4-nitro-benzoate (CAS No. 62621-09-4) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and fine chemical synthesis. This ester derivative, characterized by its nitro and methyl ester functional groups, serves as a critical intermediate in the synthesis of complex molecules. Its molecular formula, C9H9NO4, and structural features make it a subject of interest for researchers and industrial chemists alike.

In recent years, the demand for nitroaromatic compounds like methyl 2-methyl-4-nitro-benzoate has surged due to their role in developing active pharmaceutical ingredients (APIs) and crop protection agents. The compound’s electron-withdrawing nitro group enhances reactivity in nucleophilic substitution reactions, a property leveraged in drug discovery pipelines. Notably, its stability under controlled conditions aligns with green chemistry principles, a trending topic in sustainable manufacturing.

The synthesis of methyl 2-methyl-4-nitro-benzoate typically involves the esterification of 2-methyl-4-nitrobenzoic acid with methanol, catalyzed by acidic or enzymatic methods. Innovations in catalytic processes and solvent-free reactions have optimized its production, addressing environmental concerns raised in chemical industry forums. Analytical techniques such as HPLC and NMR spectroscopy ensure high purity, meeting stringent regulatory standards for pharmaceutical intermediates.

Beyond pharmaceuticals, this compound finds utility in dye synthesis and material science. Its nitro-aromatic backbone contributes to UV-absorbing properties, making it valuable in polymer stabilizers and sunscreen formulations. Researchers are also exploring its potential in organic electronics, where its molecular structure could enhance charge transport in semiconducting materials.

Frequently asked questions about CAS No. 62621-09-4 include inquiries about its solubility profile (soluble in organic solvents like ethanol and acetone), storage conditions (recommended at 2–8°C in airtight containers), and handling precautions (standard lab PPE suffices). These details are critical for laboratories prioritizing chemical safety and operational efficiency.

The global market for methyl 2-methyl-4-nitro-benzoate is projected to grow, driven by advancements in generic drug manufacturing and agrochemical innovation. Suppliers emphasize batch-to-batch consistency and regulatory compliance, key factors for buyers sourcing high-purity intermediates. As industries pivot toward bio-based alternatives, the compound’s synthetic efficiency ensures its relevance in traditional and emerging sectors.

In summary, methyl 2-methyl-4-nitro-benzoate (CAS No. 62621-09-4) exemplifies the intersection of chemical versatility and industrial applicability. Its role in API synthesis, coupled with evolving applications in advanced materials, positions it as a compound of enduring significance. Ongoing research into catalytic optimization and sustainable production methods will further solidify its standing in the chemical landscape.

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