Cas no 17894-26-7 (2,5-Dimethoxy-3-nitrobenzoic acid)

2,5-Dimethoxy-3-nitrobenzoic acid structure
17894-26-7 structure
Product Name:2,5-Dimethoxy-3-nitrobenzoic acid
CAS No:17894-26-7
MF:C9H9NO6
MW:227.170862913132
MDL:MFCD00017022
CID:229186
Update Time:2025-07-19

2,5-Dimethoxy-3-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dimethoxy-3-nitrobenzoic acid
    • Benzoic acid,2,5-dimethoxy-3-nitro-
    • 2,4-DIHYDROXYBENZOIC ACID ETHANOLAMIDE
    • 2,5-Dimethoxy-3-nitro-benzoesaeure
    • 3-Nitro-2,5-dimethoxy-bezoic acid
    • Dimethylaether-3-nitro-gentisinsaeure
    • 2,5-DIMETHOXY-3-NITRO-BENZOATE
    • 3-NITRO-2,5-DIMETHOXYBENZOIC ACID
    • 2,5-DIMETHOXY-1-NITROBENZOIC ACID
    • 2,5-dimethoxy-3-nitrobenzaldehyde
    • 3-NITROGENTISIC ACID DIMETHYL ETHER
    • 2,5-Dimethoxy-3-nitrobenzoic acid,99%
    • 2,5-DIMETHOXY-3-NITROBENZOIC ACID 99%
    • 2,5-Dimethoxy-3-nitro benzoic acid
    • 2,5-Dimethoxy-3-nitrobenzoicAcid
    • zlchem 682
    • ZLD0134
    • SBB069084
    • VZ22776
    • AX8067683
    • ST50405821
    • D2949
    • MDL: MFCD00017022
    • Inchi: 1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
    • InChI Key: QCJROOYLFVYZEP-UHFFFAOYSA-N
    • SMILES: O(C)C1C(=CC(=CC=1C(=O)O)OC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 227.04300
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 276
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2
  • Topological Polar Surface Area: 102

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.4777 (rough estimate)
  • Melting Point: 183°C(lit.)
  • Boiling Point: 368.87°C (rough estimate)
  • Refractive Index: 1.5800 (estimate)
  • PSA: 101.58000
  • LogP: 1.83340
  • Solubility: Uncertain

2,5-Dimethoxy-3-nitrobenzoic acid Security Information

2,5-Dimethoxy-3-nitrobenzoic acid 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%

2,5-Dimethoxy-3-nitrobenzoic acid Pricemore >>

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2,5-Dimethoxy-3-nitrobenzoic acid Production Method

Additional information on 2,5-Dimethoxy-3-nitrobenzoic acid

2,5-Dimethoxy-3-nitrobenzoic Acid (CAS No. 17894-26-7): An Overview of Its Properties, Applications, and Recent Research

2,5-Dimethoxy-3-nitrobenzoic acid (CAS No. 17894-26-7) is a versatile organic compound with a wide range of applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its unique structure, which includes two methoxy groups and a nitro group attached to a benzoic acid backbone. The combination of these functional groups imparts distinct chemical and physical properties that make it an important intermediate in the synthesis of more complex molecules.

The molecular formula of 2,5-Dimethoxy-3-nitrobenzoic acid is C9H9O6N, and its molecular weight is 219.17 g/mol. The compound is a white to off-white crystalline solid at room temperature and is soluble in polar solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO). Its solubility in water is limited but can be enhanced by adjusting the pH or using co-solvents.

In the pharmaceutical industry, 2,5-Dimethoxy-3-nitrobenzoic acid has gained attention due to its potential as a precursor for the synthesis of bioactive compounds. Recent studies have explored its use in the development of anti-inflammatory agents and antioxidants. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that derivatives of 2,5-Dimethoxy-3-nitrobenzoic acid exhibited significant anti-inflammatory activity in vitro and in vivo models. The researchers found that these derivatives could effectively inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6.

Beyond pharmaceutical applications, 2,5-Dimethoxy-3-nitrobenzoic acid has also been investigated for its potential in materials science. Its unique electronic properties make it suitable for use in the development of organic electronic materials. A study published in Advanced Materials in 2020 demonstrated that 2,5-Dimethoxy-3-nitrobenzoic acid-based polymers exhibited excellent charge transport properties and were used to fabricate high-performance organic field-effect transistors (OFETs). The researchers noted that the presence of the nitro group enhanced the electron-withdrawing character of the polymer backbone, leading to improved device performance.

In chemical synthesis, 2,5-Dimethoxy-3-nitrobenzoic acid serves as a valuable building block for the preparation of more complex molecules. Its reactivity can be tuned by modifying the substituents on the aromatic ring or by altering reaction conditions. For example, a recent study published in Organic Letters described a novel synthetic route for preparing substituted benzoic acids using 2,5-Dimethoxy-3-nitrobenzoic acid as a starting material. The method involved palladium-catalyzed cross-coupling reactions and allowed for the efficient synthesis of a wide range of functionalized benzoic acids with high yields and selectivity.

The environmental impact of 2,5-Dimethoxy-3-nitrobenzoic acid is another area of active research. While it is generally considered safe for use in laboratory settings when proper handling procedures are followed, there is ongoing interest in understanding its behavior in natural environments. A study published in Environmental Science & Technology in 2019 investigated the biodegradability and ecotoxicity of 2,5-Dimethoxy-3-nitrobenzoic acid. The results indicated that it has moderate biodegradability and low ecotoxicity under standard conditions, suggesting that it can be safely used in industrial processes with appropriate environmental controls.

In conclusion, 2,5-Dimethoxy-3-nitrobenzoic acid (CAS No. 17894-26-7) is a multifaceted compound with diverse applications across pharmaceuticals, materials science, and chemical synthesis. Its unique structure and properties make it an attractive candidate for further research and development. As new studies continue to uncover its potential uses and environmental impact, it is likely that this compound will play an increasingly important role in various scientific and industrial fields.

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