Dibenzyl (chloromethyl) phosphate - ≥95% , CAS No.258516-84-6

CAS: 258516-84-6 Cat. No.: D588455 Molecular Weight: 326.71 EC Number: 663-929-6

GRADE & PURITY ≥95%

Synonyms

AS-61264 | D5828 | A877456 | SY113187 | MFCD16652586 | Dibenzyl chloromethyl phosphate | AMY42265 | Phosphoric acid, chloromethyl bis(phenylmethyl) ester | F20493 | FVTHQGOGQRTOMY-UHFFFAOYSA-N | AKOS016010637 | DTXSID60467418 | C15H16ClO4P | Dibenzyl(chlo

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application
Synthesis of water-soluble prodrugs of lipophilic alcohols, phenols and amines. This compound is an improved derivative of the well known Di-tert-butyl chloromethyl phosphate. So it can be detected more easily by HPLC-UV, because of higher stability, higher yields and better UV-activity.

Specifications

Synonyms

AS-61264 | D5828 | A877456 | SY113187 | MFCD16652586 | Dibenzyl chloromethyl phosphate | AMY42265 | Phosphoric acid, chloromethyl bis(phenylmethyl) ester | F20493 | FVTHQGOGQRTOMY-UHFFFAOYSA-N | AKOS016010637 | DTXSID60467418 | C15H16ClO4P | Dibenzyl(chlo

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCCl
• IUPAC Name: dibenzyl chloromethyl phosphate
• InChIKey: FVTHQGOGQRTOMY-UHFFFAOYSA-N
• INCHI: 1S/C15H16ClO4P/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15/h1-10H,11-13H2
• Isomeric SMILES: C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCCl
• WGK Germany: 3
• Molecular Weight: 326.71
• Reaxy-Rn: 9131198
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9131198&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Trialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Trialkyl phosphates
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkyl phosphate - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive；Light Sensitive；Heat Sensitive
• Flash Point(°C): 346 °C
• Molecular Weight: 326.710 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 326.047 Da
• Monoisotopic Mass: 326.047 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 302.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1