Diethyl [(2-chloroethoxy)methyl]phosphonate

Basic Information

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CAS Number

116384-56-6

Molecular Formula

C7H16ClO4P

Molecular Weight

230.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

SMILES

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CCOP(=O)(COCCCl)OCC

InChI

InChI=1S/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3

InChIKey

SRYMPIRBPPQDPD-UHFFFAOYSA-N

LogP

2.4654000000000007

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

155

Synonyms & References

English

A803609
1-chloro-2-(diethoxyphosphorylmethoxy)ethane
SRYMPIRBPPQDPD-UHFFFAOYSA-N
(2-Chloro-ethoxymethyl)-phosphonic acid diethyl ester
C7H16ClO4P
Diethyl (2-chloroethoxy)methylphosphonate
116384-56-6
BCP22951
Phosphonic acid, P-[(2-chloroethoxy)methyl]-, diethyl ester
Diethyl ((2-chloroethoxy)methyl)phosphonate
CS-0362722
AC-22620
MFCD12068374
SCHEMBL13875497
Phosphonic acid, [(2-chloroethoxy)methyl]-, diethyl ester
Diethyl[(2-chloroethoxy)methyl]phosphonate
DTXSID50434194
Diethyl [(2-chloroethoxy)methyl]phosphonate
FT-0656074
AKOS015918515
(2-chloroethoxy)methyl-phosphonic acid diethylester
Diethyl,(2-chloroethoxy)methyl)phosphonate
Phosphonicacid, [(2-chloroethoxy)methyl]-, diethyl ester (9CI)
Diethyl [(2-chloroethoxy)methyl]phosphonat
Diethyl [(2-chloroethoxy)methyl] phosphonate
Diethyl [(2-chloroethoxy)methyl]phosphonate(A2)

MDL Number

MFCD12068374

FAQ

What are the physical and chemical properties of Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6)?

Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6) is a colorless to slightly yellow liquid with a molecular weight of approximately 269.04 g/mol. It has a solubility of about 0.5 g/100 mL in water and is soluble in organic solvents. The compound is reactive, particularly towards nucleophiles and bases, and it can undergo hydrolysis under basic conditions.

How is Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6) typically synthesized?

Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6) is typically synthesized via a multi-step process involving the chlorination of ethylene glycol followed by the reaction with diethyl phosphate. The synthesis often requires mild to moderate conditions and can be catalyzed by phosphorus oxychloride, with yields typically ranging from 70% to 90%. The final product is a clear, colorless to slightly yellow liquid.

What industries use Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6)?

Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6) is used in various industries, including pharmaceuticals, where it serves as a precursor for synthesizing active pharmaceutical ingredients (APIs). It is also used in the synthesis of certain polymers and as a component in sensors and as a reagent in semiconductor manufacturing processes.

What precautions should be taken when handling Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6)?

When handling Diethyl [(2-chloroethoxy)methyl]phosphonate (CAS: 116384-56-6), appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats should be worn. Storage should be in a cool, well-ventilated area away from direct sunlight and heat sources. Spills should be managed using appropriate spill kits, and the material safety data sheet (MSDS) should be consulted for specific guidelines. Work should be conducted in a fume hood to minimize inhalation risk.