Cas no 75694-90-5 (1-Butanol, 4-nitro-)

1-Butanol, 4-nitro- (CAS 627-05-4), also known as 4-nitro-1-butanol, is a nitro-substituted primary alcohol with the molecular formula C?H?NO?. This compound is characterized by its nitro functional group at the terminal carbon, imparting reactivity useful in organic synthesis and intermediate applications. It serves as a versatile building block in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to undergo further functionalization, such as reduction or substitution reactions. The presence of both hydroxyl and nitro groups enhances its utility in nucleophilic and electrophilic transformations. Its moderate solubility in polar organic solvents and stability under standard conditions make it a practical choice for laboratory and industrial processes.
1-Butanol, 4-nitro- structure
1-Butanol, 4-nitro- structure
Product Name:1-Butanol, 4-nitro-
CAS No:75694-90-5
MF:C4H9NO3
MW:119.119161367416
MDL:MFCD28014135
CID:1776019
PubChem ID:11240463
Update Time:2025-10-31

1-Butanol, 4-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1-Butanol, 4-nitro-
    • SCHEMBL2167079
    • CS-0198124
    • SY235738
    • E82339
    • MFCD28014135
    • 1-nitro-4-butanol
    • 4-nitro-1-butanol
    • AKOS028114098
    • 75694-90-5
    • 4-nitrobutan-1-ol
    • MDL: MFCD28014135
    • Inchi: 1S/C4H9NO3/c6-4-2-1-3-5(7)8/h6H,1-4H2
    • InChI Key: XSOWARLVOQBBOO-UHFFFAOYSA-N
    • SMILES: OCCCC[N+](=O)[O-]

Computed Properties

  • Exact Mass: 119.058243149g/mol
  • Monoisotopic Mass: 119.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 68.2
  • 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: 0.1
  • Topological Polar Surface Area: 66?2

1-Butanol, 4-nitro- Pricemore >>

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Additional information on 1-Butanol, 4-nitro-

Comprehensive Overview of 1-Butanol, 4-nitro- (CAS No. 75694-90-5): Properties, Applications, and Industry Insights

1-Butanol, 4-nitro- (CAS No. 75694-90-5), also known as 4-Nitro-1-butanol, is a nitro-substituted derivative of butanol with significant relevance in organic synthesis and industrial applications. This compound features a hydroxyl group (-OH) and a nitro group (-NO2) attached to a four-carbon chain, making it a versatile intermediate for chemical transformations. Its molecular formula, C4H9NO3, and unique structural properties have garnered attention in pharmaceutical research, agrochemical development, and specialty materials.

In recent years, the demand for nitro-alcohols like 1-Butanol, 4-nitro- has surged due to their role in synthesizing high-value compounds. Researchers frequently search for "4-Nitro-1-butanol synthesis methods" or "CAS 75694-90-5 applications," reflecting growing interest in sustainable and efficient production techniques. The compound’s reactivity, particularly in reduction reactions to form amino alcohols, aligns with trends in green chemistry and catalytic innovation.

From a physicochemical perspective, 1-Butanol, 4-nitro- exhibits moderate solubility in polar solvents like water and ethanol, which is critical for its use in liquid-phase reactions. Its stability under controlled conditions makes it suitable for storage and transport, though proper handling protocols are essential. Analytical techniques such as GC-MS and HPLC are commonly employed to characterize its purity, addressing frequent queries like "how to analyze 4-Nitro-1-butanol" in quality control workflows.

The industrial applications of CAS No. 75694-90-5 span multiple sectors. In pharmaceuticals, it serves as a precursor for antibiotics and anti-inflammatory agents, resonating with searches for "nitro-alcohols in drug discovery." Meanwhile, agrochemical manufacturers leverage its nitro group for designing herbicides and growth regulators. The compound’s role in polymer modification—often explored under "4-Nitro-1-butanol in material science"—highlights its potential in enhancing material durability and functionality.

Environmental and regulatory considerations are also pivotal. While 1-Butanol, 4-nitro- is not classified as hazardous under standard guidelines, its biodegradability and eco-toxicity profile remain topics of research. Queries like "is 4-Nitro-1-butanol environmentally safe" underscore the need for transparent data, driving innovations in greener synthesis routes such as biocatalysis or solvent-free reactions.

Looking ahead, advancements in catalytic hydrogenation and flow chemistry are poised to redefine the production landscape for nitro-alcohol derivatives. As industries prioritize cost-efficiency and sustainability, CAS 75694-90-5 exemplifies how niche chemicals can bridge laboratory-scale research and commercial scalability. This aligns with trending searches for "scalable nitro-compound production" and "future of nitro-alcohols," positioning 1-Butanol, 4-nitro- as a compound of enduring relevance.

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