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Diethyl 2,2-Diethoxyethylphosphonate - ≥96.0%(GC), high purity , CAS No.7598-61-0

COA

Grade & Purity:

≥96%(GC)

Cas Number: 7598-61-0
Molecular Weight: 254.26
Beilstein Registry Number: 4(4)3603
MDL number: MFCD00009236
PubChem CID: 82071

In stock

Item Number

D137358

Grouped product items
SKU	Size	Availability	Price
D137358-1g	1g	1	$24.90
D137358-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
D137358-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$431.90
D137358-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$777.90
D137358-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,497.90

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Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	Diethyl 2,2-Diethoxethylphosphonate \| NSC 77101 \| Diethyl 2,2-diethoxyethylphosphonate \| diethyl(2,2-diethoxyethyl)phosphonate \| Diethylphosphonoacetaldehyde Diethyl Acetal \| SN-513 \| FT-0609221 \| Diethyl phosphonacetaldehyde diethyl acetal \| Phosphonic a
Specifications & Purity	≥96%(GC)
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application Reactant for synthesis of: α,β-Alkenal derivatives by two-carbon homologation; Lower rim-phosphonylated rexorcinol calix[4]arenes by condensation reactions; α-Phosphovinyl radicals via a radical trapping sequence; Inhibitors of reverse transcriptase via 1,3-dipolar cycloadditions. Reactant for Friedel-Crafts reactions.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Phosphonic acid diesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Phosphonic acid diesters
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl alkylphosphonates
Alternative Parents	Phosphonic acid esters Acetals Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyl alkylphosphonate - Phosphonic acid ester - Acetal - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-diethoxyphosphoryl-1,1-diethoxyethane
INCHI	InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3
InChIKey	LUQYELQXRPNKRY-UHFFFAOYSA-N
Smiles	CCOC(CP(=O)(OCC)OCC)OCC
Isomeric SMILES	CCOC(CP(=O)(OCC)OCC)OCC
WGK Germany	3
Molecular Weight	254.26
Beilstein	4(4)3603
Reaxy-Rn	1785614
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785614&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.

2 results found

Lot Number	Certificate Type	Date	Item
E2408184	Certificate of Analysis	Apr 01, 2024	D137358
E2408183	Certificate of Analysis	Apr 01, 2024	D137358

Chemical and Physical Properties

Solubility	Soluble in chloroform and dichloromethane. Not miscible or difficult to mix in water.
Sensitivity	Light Sensitive,Heat Sensitive;Hygroscopic
Refractive Index	1.43
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	130 °C/2 mmHg
Molecular Weight	254.260 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	254.128 Da
Monoisotopic Mass	254.128 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	193.000
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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