Cas no 3862-11-1 (3,4-Xylenol Phosphate)

3,4-Xylenol Phosphate is an organophosphate compound derived from the reaction of 3,4-xylenol with phosphoric acid. It is primarily used as an intermediate in the synthesis of flame retardants, plasticizers, and other specialty chemicals. The compound exhibits good thermal stability and compatibility with polymer matrices, making it suitable for applications requiring enhanced fire resistance. Its chemical structure allows for effective incorporation into resins and coatings, where it contributes to improved flame-retardant properties without significantly altering mechanical performance. Additionally, 3,4-Xylenol Phosphate is valued for its relatively low volatility and resistance to hydrolysis, ensuring durability in demanding environments. Proper handling and storage are recommended due to its reactivity with strong oxidizing agents.
3,4-Xylenol Phosphate structure
3,4-Xylenol Phosphate structure
Product Name:3,4-Xylenol Phosphate
CAS No:3862-11-1
MF:C24H27O4P
MW:410.442548036575
CID:313813
PubChem ID:248886
Update Time:2025-06-26

3,4-Xylenol Phosphate Chemical and Physical Properties

Names and Identifiers

    • 4-bis(3,4-dimethylphenoxy)phosphoryloxy-1,2-dimethyl-benzene
    • 3,4-Xylenol Phosphate
    • 3,4-Xylenol Phosphate (3:1)
    • 3,4-dimethyl-phenol
    • phosphoric acid 3,4-xylyl ester
    • Tri-3,4-xylenyl phosphate
    • Tris-<3,4-dimethyl-phenyl>-phosphat
    • 3862-11-1
    • AKOS024429087
    • Q27893893
    • Tri-3,4-xylyl phosphate
    • TRIS(3,4-DIMETHYLPHENYL)PHOSPHATE
    • NSC 66431
    • 1G071RJI9Q
    • SCHEMBL3472021
    • Phenol, 3,4-dimethyl-, phosphate (3:1)
    • DTXSID6022212
    • 3,4-Xylenol, phosphate (3:1)
    • HSDB 3911
    • TRIS(3,4-XYLENYL)PHOSPHATE
    • Tris(3,4-dimethylphenyl) phosphate
    • UNII-1G071RJI9Q
    • Phosphoric acid, tris(3,4-dimethylphenyl) ester
    • NSC-66431
    • NSC66431
    • MDL: MFCD00025944
    • Inchi: 1S/C24H27O4P/c1-16-7-10-22(13-19(16)4)26-29(25,27-23-11-8-17(2)20(5)14-23)28-24-12-9-18(3)21(6)15-24/h7-15H,1-6H3
    • InChI Key: BCTKCHOESSAGCN-UHFFFAOYSA-N
    • SMILES: P(=O)(OC1C=CC(C)=C(C)C=1)(OC1C=CC(C)=C(C)C=1)OC1C=CC(C)=C(C)C=1

Computed Properties

  • Exact Mass: 410.16500
  • Monoisotopic Mass: 410.165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 491
  • 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: 44.8A^2
  • XLogP3: 7.2

Experimental Properties

  • Density: 1.170 (estimate)
  • Melting Point: 72°C
  • Boiling Point: 243.75°C (estimate)
  • Flash Point: 267.2°C
  • Refractive Index: 1.569
  • PSA: 54.57000
  • LogP: 7.18190

3,4-Xylenol Phosphate Customs Data

  • HS CODE:2919900090
  • Customs Data:

    China Customs Code:

    2919900090

    Overview:

    HS:2919900090 Other phosphates and their salts(Including milk phosphate)(Including their halogenation,sulfonation,Nitration and nitrosation derivatives) VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

3,4-Xylenol Phosphate Pricemore >>

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Additional information on 3,4-Xylenol Phosphate

Professional Introduction to 3,4-Xylenol Phosphate (CAS No. 3862-11-1)

3,4-Xylenol Phosphate, with the chemical identifier CAS No. 3862-11-1, is a compound of significant interest in the field of chemical and biomedical research. This organophosphorus derivative has garnered attention due to its unique structural properties and potential applications in various scientific domains. The compound's molecular structure, characterized by a phenolic group and a phosphate moiety, positions it as a versatile intermediate in synthetic chemistry and a candidate for further exploration in pharmaceutical and agrochemical contexts.

The< strong>3,4-Xylenol Phosphate molecule exhibits a distinct arrangement of functional groups, which contributes to its reactivity and interaction with biological systems. The presence of both hydroxyl and phosphate groups allows for diverse chemical modifications, making it a valuable building block in the synthesis of more complex molecules. This flexibility has been exploited in recent studies aiming to develop novel compounds with enhanced biological activity.

In recent years, there has been growing interest in the exploration of organophosphorus compounds for their potential therapeutic benefits. The< strong>3,4-Xylenol Phosphate derivative has been studied for its possible role in modulating enzymatic activities and cellular signaling pathways. Preliminary research suggests that this compound may interfere with specific enzymes involved in inflammatory responses, offering a promising avenue for the development of anti-inflammatory agents.

One of the most intriguing aspects of< strong>3,4-Xylenol Phosphate is its ability to act as a chelating agent. The phosphate group can coordinate with metal ions, which has implications in both medicinal chemistry and materials science. In biomedical applications, such chelation properties could be leveraged to enhance the delivery of metal-based therapeutics or to develop sensors for metal ion detection.

The synthesis of< strong>3,4-Xylenol Phosphate involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic methodologies, including catalytic processes and green chemistry approaches, have been employed to improve the efficiency of these reactions. These advancements not only facilitate the production of< strong>CAS No. 3862-11-1 but also contribute to sustainable chemical practices.

The pharmacological potential of< strong>3,4-Xylenol Phosphate has been further investigated through computational modeling and experimental assays. Molecular docking studies have identified binding interactions between this compound and target proteins relevant to neurological disorders. These findings have prompted further experimental validation to assess its efficacy as a potential drug candidate.

In agrochemical research, the< strong>3,4-Xylenol Phosphate derivative has shown promise as a precursor for developing novel pesticides with improved environmental profiles. By incorporating biodegradable structures into its molecular framework, scientists aim to create compounds that are effective against pests while minimizing ecological impact. This aligns with global efforts to promote sustainable agriculture practices.

The analytical characterization of< strong>CAS No. 3862-11-1 is crucial for understanding its behavior in various applications. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography have been employed to elucidate its structure and confirm its purity. These analytical methods provide essential data for researchers to optimize its use in different contexts.

The industrial relevance of< strong>3,4-Xylenol Phosphate extends beyond pharmaceuticals and agrochemicals. Its unique properties make it suitable for use in specialty chemicals, where precise molecular control is required. For instance, it has been explored as an intermediate in the production of dyes and coatings that exhibit enhanced durability and functionality.

The future prospects for< strong>CAS No. 3862-11-1 are promising, with ongoing research focusing on expanding its applications and improving its performance characteristics. Collaborative efforts between academic institutions and industry partners are expected to drive innovation in this field. By leveraging cutting-edge technologies and interdisciplinary approaches, scientists aim to unlock the full potential of this versatile compound.

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