Skip to the beginning of the images gallery

Di-tert-butyl chloromethyl phosphate - 95%, high purity , CAS No.229625-50-7

COA

Grade & Purity:

≥95%

Cas Number: 229625-50-7
Molecular Weight: 258.68
EC Number: 695-516-1
PubChem CID: 11701630
PubChem SID: 504766654

In stock

Item Number

D588268

Grouped product items
SKU	Size	Availability	Price
D588268-1g	1g	3	$20.90
D588268-5g	5g	2	$92.90
D588268-10g	10g	2	$176.90
D588268-25g	25g	1	$269.90

Basic Description

Synonyms	Di-tert-butyl(chloromethyl)phosphate \| A856087 \| di-t-butyl chloromethylphosphate \| D5835 \| SCHEMBL194036 \| DTXSID20470842 \| MFCD12165895 \| chloromethyl bis(1,1-dimethylethyl) phosphate \| Di-tert-butyl Chloromethyl Phosphate \| ditert-butyl chloromethyl ph
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic 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

Pubchem Sid	504766654
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766654
IUPAC Name	ditert-butyl chloromethyl phosphate
INCHI	InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3
InChIKey	LNJAJHJFSKUCIR-UHFFFAOYSA-N
Smiles	CC(C)(C)OP(=O)(OCCl)OC(C)(C)C
Isomeric SMILES	CC(C)(C)OP(=O)(OCCl)OC(C)(C)C
Alternate CAS	229625-50-7
Molecular Weight	258.68
Reaxy-Rn	8406856
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8406856&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
K2320082	Certificate of Analysis	Oct 13, 2023	D588268
K2320074	Certificate of Analysis	Oct 13, 2023	D588268
K2320089	Certificate of Analysis	Oct 13, 2023	D588268
K2320086	Certificate of Analysis	Oct 13, 2023	D588268
K2320115	Certificate of Analysis	Oct 13, 2023	D588268
K2320087	Certificate of Analysis	Oct 13, 2023	D588268
K2320185	Certificate of Analysis	Oct 13, 2023	D588268
K2320081	Certificate of Analysis	Oct 13, 2023	D588268

Chemical and Physical Properties

Sensitivity	Moisture sensitive；heat sensitive
Molecular Weight	258.680 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	258.079 Da
Monoisotopic Mass	258.079 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration