Cas no 61940-22-5 (Methyl 2-methyl-6-nitrobenzoate)

Methyl 2-methyl-6-nitrobenzoate is a benzoate ester derivative characterized by the presence of a methyl ester group at the 1-position, a methyl substituent at the 2-position, and a nitro group at the 6-position of the benzene ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its nitro and ester functional groups make it a versatile building block for further chemical modifications, such as reductions or nucleophilic substitutions. The compound exhibits moderate stability under standard conditions, facilitating handling and storage. Its well-defined structure and reactivity profile contribute to its utility in multi-step synthetic routes.
Methyl 2-methyl-6-nitrobenzoate structure
61940-22-5 structure
Product Name:Methyl 2-methyl-6-nitrobenzoate
CAS No:61940-22-5
MF:C9H9NO4
MW:195.172062635422
MDL:MFCD11042453
CID:821187
PubChem ID:596057
Update Time:2025-10-29

Methyl 2-methyl-6-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-methyl-6-nitrobenzoate
    • 2-Methyl-6-nitrobenzoic Acid Methyl Ester
    • 2-Methyl-6-nitrobenz
    • 2-Methyl-6-nitro-benzoesaeure-methylester
    • 2-methyl-6-nitro-benzoic acid methyl ester
    • 6-Nitro-2-methyl-benzoesaeure-methylester
    • METHYL-2METHYL-6-NITRO-BENZOATE
    • Methyl 2-Methyl-6-nitro-benzoate
    • Benzoic acid, 2-methyl-6-nitro-, methyl ester
    • methyl-2-methyl-6-nitrobenzoate
    • Methyl2-methyl-6-nitro-benzoate
    • Methyl 2-methyl-6-nitrobenzoate #
    • BBL102881
    • STL556689
    • RP25360
    • NE14844
    • AM83065
    • SC-
    • AKOS009098673
    • SY044938
    • AC-26058
    • SCHEMBL283363
    • CS-W006451
    • DTXSID50344340
    • J-522048
    • DB-073030
    • EN300-138202
    • DS-12528
    • Methyl 2-methyl-6-nitrobenzoate; Methyl 6-methyl-2-nitrobenzoate; 6-Nitro-o-toluic Acid Methyl Ester
    • Methyl2-methyl-6-nitrobenzoate
    • MFCD11042453
    • 61940-22-5
    • MDL： MFCD11042453
    • Inchi： 1S/C9H9NO4/c1-6-4-3-5-7(10(12)13)8(6)9(11)14-2/h3-5H,1-2H3
    • InChI Key： XPVBLOOMFDNJTH-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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 72.1

Experimental Properties

  • Boiling Point: 283.4℃ at 760 mmHg
  • PSA: 72.12000
  • LogP: 2.21300

Methyl 2-methyl-6-nitrobenzoate 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%

Methyl 2-methyl-6-nitrobenzoate Pricemore >>

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Methyl 2-methyl-6-nitrobenzoate Production Method

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