Cas no 181871-73-8 (Methyl 4-methoxy-2-nitrobenzoate)

Methyl 4-methoxy-2-nitrobenzoate is a synthetic organic compound commonly utilized as an intermediate in pharmaceutical and fine chemical synthesis. Its structure, featuring both methoxy and nitro functional groups on a benzoate ester framework, makes it a versatile building block for further derivatization. The compound exhibits good stability under standard storage conditions and is soluble in common organic solvents, facilitating its use in various reactions. Its precise functional group positioning allows for selective transformations, particularly in the synthesis of complex aromatic systems. The ester moiety also provides a handle for further modifications, enhancing its utility in multi-step synthetic routes.
Methyl 4-methoxy-2-nitrobenzoate structure
181871-73-8 structure
Product Name:Methyl 4-methoxy-2-nitrobenzoate
CAS No:181871-73-8
MF:C9H9NO5
MW:211.171462774277
MDL:MFCD06658482
CID:137411
PubChem ID:17733355
Update Time:2025-06-07

Methyl 4-methoxy-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-methoxy-2-nitrobenzoate
    • 4-METHOXY-2-NITRO-BENZOICACIDMETHYLESTER
    • Benzoic acid,4-methoxy-2-nitro-, methyl ester
    • 4-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER
    • Benzoic acid, 4-methoxy-2-nitro-, methyl ester
    • 4-Methoxy-2-nitrobenzoic acid methyl ester
    • PubChem16032
    • APKDQNMBIHKQSF-UHFFFAOYSA-N
    • 9528AA
    • AB1524
    • TL8001456
    • ST2419589
    • BB 0244804
    • DTXSID70589913
    • 181871-73-8
    • CS-0042889
    • SB34479
    • AKOS000300014
    • SCHEMBL1571262
    • DS-17900
    • FT-0702988
    • MFCD06658482
    • METHYL4-METHOXY-2-NITROBENZOATE
    • DB-065376
    • 4-methoxy-2-nitrobenzoic acid methyl ester
    • MDL： MFCD06658482
    • Inchi： 1S/C9H9NO5/c1-14-6-3-4-7(9(11)15-2)8(5-6)10(12)13/h3-5H,1-2H3
    • InChI Key： APKDQNMBIHKQSF-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(C(=O)OC)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 211.04800
  • Monoisotopic Mass: 211.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 249
  • 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: 1.6
  • Topological Polar Surface Area: 81.4

Experimental Properties

  • Density: 1.294
  • Boiling Point: 336°C at 760 mmHg
  • Flash Point: 158.5°C
  • Refractive Index: 1.54
  • PSA: 81.35000
  • LogP: 1.91320

Methyl 4-methoxy-2-nitrobenzoate Security Information

  • Hazardous Material Identification： Xi

Methyl 4-methoxy-2-nitrobenzoate Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Methyl 4-methoxy-2-nitrobenzoate Pricemore >>

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Methyl 4-methoxy-2-nitrobenzoate Related Literature

  • 1. The photolysis of o-azidobenzoic acid derivatives: a practicable synthesis of 2-alkoxy-3-alkoxycarbonyl-3H-azepines
    Roger Purvis,Robert K. Smalley,Winston A. Strachan,Hans Suschitzky J. Chem. Soc. Perkin Trans. 1 1978 191

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