Cas no 320740-32-7 (Benzoic acid, 3-bromo-4-methyl-2-nitro-)

Benzoic acid, 3-bromo-4-methyl-2-nitro-, is a brominated and nitrated derivative of benzoic acid with a methyl substituent at the 4-position. This compound is characterized by its distinct functional groups, which make it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of bromo, nitro, and methyl groups enhances its reactivity, enabling selective transformations such as nucleophilic substitutions or reductions. Its well-defined structure and purity ensure consistent performance in synthetic applications. The compound is typically supplied as a crystalline solid, with stability under recommended storage conditions, making it suitable for research and industrial use.
Benzoic acid, 3-bromo-4-methyl-2-nitro- structure
320740-32-7 structure
Product Name:Benzoic acid, 3-bromo-4-methyl-2-nitro-
CAS No:320740-32-7
MF:C8H6BrNO4
MW:260.041541576386
MDL:MFCD28745206
CID:1449269
PubChem ID:85781418
Update Time:2025-05-21

Benzoic acid, 3-bromo-4-methyl-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-bromo-4-methyl-2-nitro-
    • 3-Bromo-4-methyl-2-nitro-benzoic acid
    • SCHEMBL16514788
    • MFCD28745206
    • 3-Bromo-4-methyl-2-nitrobenzoic acid
    • JZFRBFOZDYWGCP-UHFFFAOYSA-N
    • 3-Bromo-4-methyl-2-nitrobenzoicacid
    • AS-36576
    • AKOS027329557
    • DB-165507
    • 320740-32-7
    • SB36572
    • MDL: MFCD28745206
    • Inchi: 1S/C8H6BrNO4/c1-4-2-3-5(8(11)12)7(6(4)9)10(13)14/h2-3H,1H3,(H,11,12)
    • InChI Key: JZFRBFOZDYWGCP-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=O)O)C=CC=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 258.94798
  • Monoisotopic Mass: 258.94802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 252
  • 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: 2.3
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • PSA: 80.44

Benzoic acid, 3-bromo-4-methyl-2-nitro- Pricemore >>

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Additional information on Benzoic acid, 3-bromo-4-methyl-2-nitro-

Comprehensive Analysis of Benzoic acid, 3-bromo-4-methyl-2-nitro- (CAS No. 320740-32-7)

Benzoic acid, 3-bromo-4-methyl-2-nitro- (CAS No. 320740-32-7) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, characterized by its unique molecular structure featuring a benzoic acid backbone substituted with bromo, methyl, and nitro groups, offers a wide range of applications due to its reactive functional groups. Researchers and industry professionals are increasingly exploring its potential in drug synthesis, polymer chemistry, and specialty chemicals.

The growing interest in 3-bromo-4-methyl-2-nitrobenzoic acid is driven by its versatility and the demand for high-performance intermediates in synthetic chemistry. With the rise of green chemistry and sustainable practices, scientists are investigating eco-friendly synthesis routes for this compound. Questions like "How to synthesize 3-bromo-4-methyl-2-nitrobenzoic acid?" or "What are the applications of CAS 320740-32-7?" are frequently searched in academic and industrial circles, reflecting its relevance in modern research.

One of the key advantages of Benzoic acid, 3-bromo-4-methyl-2-nitro- lies in its role as a building block for more complex molecules. Its nitro and bromo groups make it a valuable precursor in coupling reactions, such as Suzuki or Heck reactions, which are pivotal in pharmaceutical development. Additionally, the methyl group enhances its solubility in organic solvents, facilitating its use in various reaction conditions. This adaptability makes it a sought-after compound in laboratories focusing on medicinal chemistry and material innovation.

Recent trends in the chemical industry highlight the importance of CAS 320740-32-7 in the development of advanced materials. For instance, its incorporation into polymers can improve thermal stability and mechanical properties, addressing the need for high-performance materials in electronics and coatings. Searches like "Benzoic acid derivatives in material science" or "Nitro-substituted benzoic acid applications" underscore the compound's expanding role beyond traditional chemistry.

Quality control and analytical methods for 3-bromo-4-methyl-2-nitrobenzoic acid are also critical topics. Advanced techniques such as HPLC, NMR, and mass spectrometry are employed to ensure purity and consistency, which are essential for its use in sensitive applications. Researchers often inquire about "Analytical methods for CAS 320740-32-7" or "Purity standards for nitrobenzoic acid derivatives," reflecting the need for reliable characterization protocols.

In conclusion, Benzoic acid, 3-bromo-4-methyl-2-nitro- (CAS No. 320740-32-7) is a multifaceted compound with significant potential across multiple industries. Its unique properties and reactivity make it a valuable asset in synthetic chemistry, while ongoing research continues to uncover new applications. As the demand for innovative chemical solutions grows, this compound is poised to play a pivotal role in shaping the future of science and technology.

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