Cas no 3074-81-5 (Dibutyl Chloromethyl Phosphonate)

Dibutyl Chloromethyl Phosphonate is an organophosphorus compound characterized by its chloromethyl and phosphonate functional groups. This chemical is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of flame retardants, plasticizers, and other phosphorus-containing derivatives. Its reactive chloromethyl group enables efficient functionalization, while the phosphonate moiety contributes to thermal stability and chelating properties. The compound is typically employed in controlled reactions due to its sensitivity to hydrolysis. Dibutyl Chloromethyl Phosphonate is valued for its versatility in modifying polymer properties and enhancing material performance in specialized industrial applications. Proper handling under inert conditions is recommended to maintain stability.
Dibutyl Chloromethyl Phosphonate structure
3074-81-5 structure
Product Name:Dibutyl Chloromethyl Phosphonate
CAS No:3074-81-5
MF:C9H20ClO3P
MW:242.680063247681
CID:321899
PubChem ID:76493
Update Time:2025-06-10

Dibutyl Chloromethyl Phosphonate Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,(chloromethyl)-, dibutyl ester (6CI,7CI,8CI,9CI)
    • 1-[butoxy(chloromethyl)phosphoryl]oxybutane
    • DIBUTYL CHLOROMETHYL PHOSPHONATE
    • AC1L2R18
    • AC1Q2XKX
    • AC1Q3VE7
    • Chlormethyl-phosphonsaeure-dibutylester
    • chloromethyl-phosphonic acid dibutyl ester
    • CTK4G5815
    • dibutyl(chloromethyl)phosphonate
    • Dibutyl-chlormethylphosphonat
    • EINECS 221-350-2
    • O,O'-Dibutyl-chlormethylphosphonat
    • O,O-dibutyl chloro-methylphosphonate
    • NSC-62250
    • 3074-81-5
    • FT-0634643
    • AKOS016034777
    • NSC 62250
    • SCHEMBL19688698
    • NCIOpen2_002567
    • NSC62250
    • Dibutyl chloromethylphosphonate
    • NS00028961
    • DTXSID10184769
    • Phosphonic acid, (chloromethyl)-, dibutyl ester (6CI,7CI,8CI,9CI)
    • Dibutyl Chloromethyl Phosphonate
    • Inchi: 1S/C9H20ClO3P/c1-3-5-7-12-14(11,9-10)13-8-6-4-2/h3-9H2,1-2H3
    • InChI Key: LSGPZYLAHPLSBS-UHFFFAOYSA-N
    • SMILES: ClCP(=O)(OCCCC)OCCCC

Computed Properties

  • Exact Mass: 242.08400
  • Monoisotopic Mass: 242.0838592g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 9
  • Complexity: 161
  • 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: 2.7
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 45.34000
  • LogP: 4.00920

Dibutyl Chloromethyl Phosphonate Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Dibutyl Chloromethyl Phosphonate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D422858-50mg
Dibutyl Chloromethyl Phosphonate
3074-81-5
50mg
$ 50.00 2022-06-05
TRC
D422858-100mg
Dibutyl Chloromethyl Phosphonate
3074-81-5
100mg
$ 65.00 2022-06-05
TRC
D422858-500mg
Dibutyl Chloromethyl Phosphonate
3074-81-5
500mg
$ 115.00 2022-06-05

Additional information on Dibutyl Chloromethyl Phosphonate

Dibutyl Chloromethyl Phosphonate (CAS No. 3074-81-5): An Overview of Its Properties and Applications

Dibutyl Chloromethyl Phosphonate (CAS No. 3074-81-5) is a versatile organic compound that has garnered significant attention in various scientific and industrial applications. This phosphonate derivative is characterized by its unique chemical structure, which includes a chloromethyl group and two butyl groups attached to a phosphorus atom. The compound's molecular formula is C9H21ClO3P, and its molecular weight is approximately 244.67 g/mol.

The physical properties of Dibutyl Chloromethyl Phosphonate are noteworthy. It typically appears as a colorless to pale yellow liquid with a density of around 1.15 g/cm3 at room temperature. The compound has a boiling point of approximately 230°C and is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and dichloromethane. These properties make it suitable for a wide range of applications, particularly in chemical synthesis and pharmaceutical research.

In terms of chemical reactivity, Dibutyl Chloromethyl Phosphonate exhibits notable characteristics. The presence of the chloromethyl group makes it an excellent electrophilic reagent, capable of participating in various nucleophilic substitution reactions. This reactivity is crucial in the synthesis of more complex organic molecules, including those used in the development of pharmaceuticals and agrochemicals. Additionally, the phosphonate moiety can undergo hydrolysis under certain conditions, making it useful in the preparation of phosphonic acids and their derivatives.

The synthesis of Dibutyl Chloromethyl Phosphonate can be achieved through several methods. One common approach involves the reaction of dibutyl phosphite with chloromethyl methyl ether in the presence of a catalyst such as triphenylphosphine. This reaction proceeds via an SN2 mechanism, resulting in the formation of the desired product with high yield and purity. Another method involves the reaction of dibutyl phosphite with formaldehyde and hydrogen chloride gas, which also yields Dibutyl Chloromethyl Phosphonate efficiently.

In the realm of pharmaceutical research, Dibutyl Chloromethyl Phosphonate has shown promise as an intermediate in the synthesis of various drugs. Its ability to form stable complexes with metal ions makes it useful in the development of metal-based pharmaceuticals, which have applications in treating conditions such as cancer and neurodegenerative diseases. Recent studies have also explored its potential as a prodrug precursor, where it can be designed to release active drug molecules under specific physiological conditions.

The environmental impact of Dibutyl Chloromethyl Phosphonate is another important consideration. While it is not classified as a hazardous substance under current regulations, proper handling and disposal practices are essential to minimize any potential environmental risks. Research has shown that the compound can be biodegraded under aerobic conditions, although its persistence in aquatic environments may vary depending on factors such as pH and temperature.

In industrial applications, Dibutyl Chloromethyl Phosphonate finds use in a variety of sectors beyond pharmaceuticals. It is employed as a stabilizer in polymer formulations, where it helps to improve thermal stability and prevent degradation over time. Additionally, it serves as a key component in flame retardants for textiles and plastics, contributing to enhanced fire safety properties.

The future prospects for Dibutyl Chloromethyl Phosphonate are promising. Ongoing research aims to expand its applications in areas such as catalysis, materials science, and biotechnology. For instance, recent studies have explored its potential as a ligand in homogeneous catalysis, where it can enhance the efficiency and selectivity of catalytic reactions. Furthermore, its unique chemical properties make it an attractive candidate for developing new materials with advanced functional properties.

In conclusion, Dibutyl Chloromethyl Phosphonate (CAS No. 3074-81-5) is a multifaceted compound with a wide range of applications across various fields. Its chemical structure and reactivity make it an invaluable tool for researchers and industrialists alike. As new research continues to uncover its potential uses, the importance of this compound is likely to grow further.

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