Cas no 140647-01-4 (Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-)

Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-, is a nitrated aromatic compound featuring hydroxyl and methoxy substituents, which impart distinct reactivity and solubility properties. Its structure makes it valuable as an intermediate in organic synthesis, particularly for the preparation of dyes, pharmaceuticals, and specialty chemicals. The presence of electron-withdrawing (nitro) and electron-donating (hydroxy, methoxy) groups allows for selective functionalization, enabling tailored modifications in synthetic pathways. This compound exhibits moderate stability under standard conditions, though storage in a cool, dry environment is recommended to prevent degradation. Its purity and consistent performance make it suitable for research and industrial applications requiring precise chemical transformations.
Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- structure
140647-01-4 structure
Product Name:Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-
CAS No:140647-01-4
MF:C8H7NO6
MW:213.144282579422
MDL:MFCD22627819
CID:1295630
PubChem ID:11052987
Update Time:2025-11-05

Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-
    • 4-hydroxy-5-methoxy-2-nitrobenzoic acid
    • 4-hydroxy-5-methoxy-2-nitro-benzoic Acid
    • CS-B1742
    • 4-Hydroxy-5-methoxy-2-nitrobenzoicacid
    • Benzoic acid,4-hydroxy-5-methoxy-2-nitro-
    • DTXSID70453468
    • A928780
    • SB33349
    • AMY28436
    • CS-13464
    • SCHEMBL16945800
    • 140647-01-4
    • MFCD22627819
    • SY333270
    • AKOS027323863
    • MDL: MFCD22627819
    • Inchi: 1S/C8H7NO6/c1-15-7-2-4(8(11)12)5(9(13)14)3-6(7)10/h2-3,10H,1H3,(H,11,12)
    • InChI Key: RAPBNVDGGBJECM-UHFFFAOYSA-N
    • SMILES: O(C)C1C(=CC(=C(C(=O)O)C=1)[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 213.02731
  • Monoisotopic Mass: 213.02733694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 262
  • 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: 113
  • XLogP3: 0.9

Experimental Properties

  • PSA: 109.9

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Additional information on Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-

Comprehensive Analysis of Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- (CAS No. 140647-01-4)

Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- (CAS No. 140647-01-4) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and specialty chemicals. This compound, characterized by its unique molecular structure featuring a benzoic acid backbone with hydroxy, methoxy, and nitro functional groups, exhibits versatile chemical properties. Researchers and industry professionals often search for "4-hydroxy-5-methoxy-2-nitrobenzoic acid uses" or "CAS 140647-01-4 synthesis," reflecting the growing interest in its applications and production methods.

In recent years, the demand for nitro-substituted benzoic acid derivatives has surged due to their role as intermediates in the synthesis of bioactive molecules. For instance, Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- is frequently explored for its potential in developing novel antioxidants and UV absorbers, aligning with the global trend toward sustainable and eco-friendly materials. Searches like "nitrobenzoic acid derivatives in cosmetics" or "green chemistry applications of 140647-01-4" highlight its relevance in cutting-edge research.

The compound's structural features, particularly the nitro group at the 2-position and the methoxy group at the 5-position, contribute to its reactivity and stability under various conditions. This makes it a valuable building block in organic synthesis. Queries such as "how to purify 4-hydroxy-5-methoxy-2-nitrobenzoic acid" or "solubility of CAS 140647-01-4" are common among chemists optimizing laboratory protocols. Additionally, its potential role in drug discovery has sparked interest, with studies investigating its derivatives for anti-inflammatory and antimicrobial properties.

From an industrial perspective, Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- is often discussed in the context of high-value chemical intermediates. Manufacturers and suppliers frequently search for "bulk suppliers of 140647-01-4" or "technical specifications of nitrobenzoic acid derivatives," underscoring its commercial importance. The compound's compatibility with scalable synthesis routes further enhances its appeal for large-scale production.

Environmental and regulatory considerations also play a crucial role in the discourse around this compound. With increasing emphasis on sustainable chemistry, researchers are exploring greener synthesis methods for 4-hydroxy-5-methoxy-2-nitrobenzoic acid. Topics like "biodegradability of nitro-substituted aromatics" or "safe handling of CAS 140647-01-4" are frequently addressed in scientific literature and industry guidelines.

In summary, Benzoic acid, 4-hydroxy-5-methoxy-2-nitro- (CAS No. 140647-01-4) represents a multifaceted compound with broad applications in research and industry. Its unique chemical profile, combined with growing interest in sustainable and bioactive materials, ensures its continued relevance. Whether you're investigating "advanced applications of nitrobenzoic acids" or "market trends for 140647-01-4," this compound offers a wealth of opportunities for innovation and development.

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