Cas no 40751-89-1 (2-Methoxy-5-nitrobenzoic acid)

2-Methoxy-5-nitrobenzoic acid is a nitro-substituted benzoic acid derivative with the molecular formula C?H?NO?. This compound features a methoxy group at the 2-position and a nitro group at the 5-position, contributing to its distinct chemical reactivity and utility in organic synthesis. It serves as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and fine chemicals, particularly in reactions involving electrophilic aromatic substitution or reduction of the nitro group. The compound's crystalline form and moderate solubility in organic solvents facilitate its handling in laboratory settings. Its well-defined structure and functional groups make it valuable for derivatization and further chemical modifications.
2-Methoxy-5-nitrobenzoic acid structure
2-Methoxy-5-nitrobenzoic acid structure
Product Name:2-Methoxy-5-nitrobenzoic acid
CAS No:40751-89-1
MF:C8H7NO5
MW:197.144882440567
MDL:MFCD00527902
CID:333970
PubChem ID:284163
Update Time:2025-06-26

2-Methoxy-5-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxy-5-nitrobenzoic acid
    • 2-Methoxy-5-nitro-benzoic acid
    • CVZUPRDSNNBZLH-UHFFFAOYSA-N
    • NSC139931
    • 2-methoxy-5-nitro benzoic acid
    • STK498307
    • BBL035691
    • AM83230
    • AB06422
    • ST2417018
    • AB0034008
    • X8089
    • ST50662919
    • Z56174915
    • 40751-89-1
    • F1414-0365
    • 2-METHOXY-5-NITROBENZOICACID
    • SCHEMBL1671926
    • AKOS000112213
    • DS-13174
    • NSC-139931
    • EN300-13911
    • MFCD00527902
    • CS-0042693
    • FT-0687098
    • J-509834
    • NSC 139931
    • SY045506
    • DTXSID30300904
    • A873239
    • DTXCID10252038
    • DB-070080
    • MDL: MFCD00527902
    • Inchi: 1S/C8H7NO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: CVZUPRDSNNBZLH-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1C(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 197.03200
  • Monoisotopic Mass: 197.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • 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: 1.4
  • Topological Polar Surface Area: 92.4

Experimental Properties

  • Color/Form: No data available
  • Density: 1.43
  • Melting Point: 155-158℃
  • Boiling Point: 384.5℃ at 760 mmHg
  • Flash Point: 186.3°C
  • PSA: 92.35000
  • LogP: 1.82480

2-Methoxy-5-nitrobenzoic acid Security Information

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2-Methoxy-5-nitrobenzoic acid Production Method

Additional information on 2-Methoxy-5-nitrobenzoic acid

2-Methoxy-5-Nitrobenzoic Acid (CAS No. 40751-89-1): A Comprehensive Overview

2-Methoxy-5-nitrobenzoic acid (CAS No. 40751-89-1) is a chemically synthesized compound with significant applications in various scientific and industrial fields. This compound, also referred to as MNB or MNA, is characterized by its unique structure, which includes a benzoic acid backbone substituted with a methoxy group at the 2-position and a nitro group at the 5-position. The combination of these substituents imparts distinctive chemical properties, making it a valuable compound in research and development.

The synthesis of 2-methoxy-5-nitrobenzoic acid involves multi-step organic reactions, often utilizing aromatic substitution chemistry. Recent advancements in synthetic methodologies have enabled the production of this compound with higher yields and improved purity. Researchers have explored various catalysts and reaction conditions to optimize the synthesis process, ensuring scalability for industrial applications. The compound's stability under different environmental conditions has also been extensively studied, highlighting its suitability for long-term storage and use in diverse settings.

One of the most notable applications of 2-methoxy-5-nitrobenzoic acid is in the field of pharmacology. This compound has been investigated as a potential lead molecule for drug development, particularly in the design of anti-inflammatory and anti-cancer agents. Recent studies have demonstrated its ability to modulate key cellular pathways involved in inflammation and tumor growth, suggesting its potential as a therapeutic agent. Additionally, its role as an intermediate in the synthesis of more complex pharmaceutical compounds has further underscored its importance in medicinal chemistry.

In materials science, 2-methoxy-5-nitrobenzoic acid has found applications as a precursor for advanced materials such as polymers and nanoparticles. Its functional groups enable it to participate in various polymerization reactions, leading to the creation of materials with tailored properties. For instance, researchers have utilized this compound to develop biodegradable polymers with applications in drug delivery systems and tissue engineering.

The environmental impact of 2-methoxy-5-nitrobenzoic acid has also been a topic of recent research. Studies have focused on its biodegradability and potential toxicity to aquatic organisms. Findings indicate that under certain conditions, this compound can undergo microbial degradation, reducing its persistence in the environment. However, further research is needed to fully understand its ecological implications and ensure safe handling practices.

From a structural perspective, 2-methoxy-5-nitrobenzoic acid exhibits interesting electronic properties due to the electron-donating methoxy group and electron-withdrawing nitro group on the aromatic ring. These substituents influence the compound's reactivity in various chemical transformations, making it a versatile building block for organic synthesis. Recent computational studies have provided deeper insights into its electronic structure, aiding in the prediction of its reactivity under different reaction conditions.

In conclusion, 2-methoxy-5-nitrobenzoic acid (CAS No. 40751-89-1) is a multifaceted compound with wide-ranging applications across scientific disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and application techniques, positions it as an important tool for future innovations in medicine, materials science, and environmental chemistry.

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