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

COA

Grade & Purity:

≥95%

Cas Number: 258516-84-6
Molecular Weight: 326.71
PubChem CID: 11484214

In stock

Item Number

D588455

Grouped product items
SKU	Size	Availability	Price
D588455-250mg	250mg	3	$16.90
D588455-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$52.90
D588455-5g	5g	2	$213.90
D588455-25g	25g	1	$937.90

Basic Description

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 Temp	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.
Product Description	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.

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
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

Names and Identifiers

IUPAC Name	dibenzyl chloromethyl phosphate
INCHI	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
InChIKey	FVTHQGOGQRTOMY-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCCl
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
J2308370	Certificate of Analysis	Sep 09, 2023	D588455
J2308372	Certificate of Analysis	Sep 09, 2023	D588455
J2308371	Certificate of Analysis	Sep 09, 2023	D588455
J2308369	Certificate of Analysis	Sep 09, 2023	D588455

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 Å²
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

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