Cas no 31657-37-1 (Benzene,1-(decyloxy)-4-nitro-)

Benzene,1-(decyloxy)-4-nitro- is a nitro-substituted aromatic compound featuring a decyloxy side chain. This structure imparts unique physicochemical properties, including moderate polarity and lipophilicity, making it suitable for applications in organic synthesis and material science. The nitro group enhances reactivity, facilitating further functionalization, while the long alkyl chain contributes to solubility in nonpolar solvents and potential surfactant-like behavior. Its stability under standard conditions and well-defined molecular architecture make it a valuable intermediate for designing specialized chemicals. The compound’s balance of aromatic and aliphatic characteristics offers versatility in formulations requiring controlled hydrophobic interactions or tailored electronic effects.
Benzene,1-(decyloxy)-4-nitro- structure
Benzene,1-(decyloxy)-4-nitro- structure
Product Name:Benzene,1-(decyloxy)-4-nitro-
CAS No:31657-37-1
MF:C16H25NO3
MW:279.374604940414
MDL:MFCD00024674
CID:307596
PubChem ID:141653
Update Time:2025-05-24

Benzene,1-(decyloxy)-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(decyloxy)-4-nitro-
    • 1-decoxy-4-nitrobenzene
    • P-NITROPHENYL DECYL ETHER
    • P-NITROPHENYL DECYL ETHER ---CRYSTALLINE---
    • 4-decyloxy-1-nitrobenzene
    • 4-Decyloxynitrobenzene
    • FR-1085
    • AS-57855
    • DTXSID70185550
    • 31657-37-1
    • SCHEMBL5049067
    • 1-(Decyloxy)-4-nitrobenzene
    • D96046
    • AKOS025116675
    • Decyl 4-nitrophenyl ether
    • 1-(Decyloxy)-4-nitrobenzene #
    • P-DECYLOXYNITROBENZENE
    • FT-0762448
    • DTXCID10108041
    • DB-080918
    • MDL: MFCD00024674
    • Inchi: 1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13H,2-9,14H2,1H3
    • InChI Key: FQIOGTJBANMZNX-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])CCCCCCCCCC

Computed Properties

  • Exact Mass: 279.18300
  • Monoisotopic Mass: 279.183444
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 11
  • Complexity: 245
  • 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: nothing
  • Topological Polar Surface Area: 55

Experimental Properties

  • Density: 1.02
  • Boiling Point: 394.7 °C at 760 mmHg
  • Flash Point: 145.5 °C
  • Refractive Index: 1.504
  • PSA: 55.05000
  • LogP: 5.63750

Benzene,1-(decyloxy)-4-nitro- Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Benzene,1-(decyloxy)-4-nitro- Pricemore >>

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Additional information on Benzene,1-(decyloxy)-4-nitro-

Chemical Profile of Benzene, 1-(decyloxy)-4-nitro- (CAS No: 31657-37-1)

Benzene, 1-(decyloxy)-4-nitro- (CAS No: 31657-37-1) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and material science due to its unique structural and functional properties. This compound, featuring a nitro group and a decyloxy substituent, presents a versatile platform for further chemical modifications and applications. The nitro group introduces a polar region that can participate in hydrogen bonding and electronic effects, while the decyloxy side chain provides hydrophobicity and steric bulk, making it an interesting candidate for drug design and polymer chemistry.

The synthesis of Benzene, 1-(decyloxy)-4-nitro- involves multi-step organic transformations, typically starting from benzene derivatives. The introduction of the nitro group is often achieved through nitration reactions, which require precise control of reaction conditions to avoid over-nitration or side reactions. Subsequent alkylation with decyloxy groups further refines the molecular structure. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to enhance the efficiency and selectivity of these transformations.

In recent years, Benzene, 1-(decyloxy)-4-nitro- has been explored for its potential applications in medicinal chemistry. The presence of both electron-withdrawing and electron-donating groups makes this compound a promising scaffold for developing novel therapeutic agents. Researchers have investigated its derivatives as intermediates in the synthesis of antimicrobial and anti-inflammatory compounds. The nitro group can be reduced to an amine, which opens up possibilities for further functionalization into more complex molecules.

The compound's structural features also make it valuable in materials science. For instance, its ability to form stable complexes with metal ions has been studied for applications in catalysis and material design. Additionally, the decyloxy group enhances the compound's solubility in non-polar solvents, making it suitable for use in organic electronics and coatings. These properties are particularly relevant in the development of advanced materials that require precise control over molecular interactions.

Recent research has highlighted the role of Benzene, 1-(decyloxy)-4-nitro- in bioconjugation chemistry. Its bifunctional nature allows it to serve as a linker molecule in the development of biopharmaceuticals. By attaching biomolecules such as peptides or proteins to this scaffold, researchers can create novel drug delivery systems or diagnostic tools. The stability of the nitro group under various physiological conditions further enhances its utility in these applications.

The chemical reactivity of Benzene, 1-(decyloxy)-4-nitro- has also been leveraged in polymer chemistry. Its incorporation into polymer backbones can impart specific properties such as thermal stability or photochemical activity. These polymers find applications in areas ranging from biodegradable plastics to photoresists used in semiconductor manufacturing. The versatility of this compound underscores its importance as a building block in synthetic chemistry.

From an industrial perspective, the production and application of Benzene, 1-(decyloxy)-4-nitro- require stringent quality control measures to ensure consistency and purity. Analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) are routinely employed to characterize the compound and monitor reaction progress. These methods provide critical data for optimizing synthetic routes and ensuring that the final product meets the required specifications.

The environmental impact of synthesizing and using Benzene, 1-(decyloxy)-4-nitro- is another important consideration. Efforts are being made to develop greener synthetic methodologies that minimize waste and reduce energy consumption. Catalytic processes and solvent-free reactions are being explored as alternatives to traditional approaches. These advancements not only improve sustainability but also enhance cost-effectiveness by reducing raw material costs.

In conclusion, Benzene, 1-(decyloxy)-4-nitro- (CAS No: 31657-37-1) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it a valuable tool for pharmaceutical research, material science innovation, and bioconjugation chemistry. As research continues to uncover new possibilities for this compound, its significance is expected to grow further. The ongoing development of efficient synthetic methods and environmentally conscious practices will ensure that its potential is fully realized without compromising safety or sustainability.

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