Dimethyl (2-hydroxyethyl)phosphonate

Basic Information

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CAS Number

54731-72-5

Molecular Formula

C4H11O4P

Molecular Weight

154.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

97°C/6mmHg

Density

1.247

Flash Point

192 ºC

Refractive Index

1.443-1.446

SMILES

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COP(=O)(CCO)OC

InChI

InChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3

InChIKey

TZPPDWDHNIMTDQ-UHFFFAOYSA-N

LogP

0.4645999999999999

Topological Polar Surface Area

55.76 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

105

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EINECS 259-310-1
Dimethyl (2-hydroxyethyl)phosphonate
hydroxyethyldimethylphosphonic acid
2-hydroxyethane-phosphonic acid dimethyl ester
H0779
DIMETHYL2-HYDROXYETHYLPHOSPHONATE
SCHEMBL874478
2-hydroxyethylphosphonic acid dimethylester
2-dimethoxyphosphorylethanol
DTXSID20203197
AKOS015915772
MFCD00043376
54731-72-5
A851545
FT-0612605
2-Hydroxyethylphosphonic Acid Dimethyl Ester
TZPPDWDHNIMTDQ-UHFFFAOYSA-
Dimethyl(2-hydroxyethyl) Phosphonate
InChI=1/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
NS00033187
Dimethyl 2-Hydroxyethylphosphonate
(2-Hydroxyethyl)phosphonic Acid Dimethyl Ester
(2-hydroxy-ethyl)-phosphonic acid dimethyl ester
TZPPDWDHNIMTDQ-UHFFFAOYSA-N
DiMethyl 2-hydroxyethylphosphonate
Phosphonicacid, (2-hydroxyethyl)-, dimethyl ester (9CI)
Dimethyl (b-hydroxyethyl)phosphonate
Dimethyl 2-phosphonoethanol
(2-Hydroxyethyl)phosphonic aciddimethyl ester
Dimethyl(2-hydroxyethyl)phosphonate
2-(Diethylphosphono)ethan-1-ol

MDL Number

MFCD00043376

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5)?

Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5) is a colorless to slightly yellow liquid with a molecular weight of approximately 154.14 g/mol. It has a pKa of about 6.8, indicating it is a weak acid. This compound is slightly soluble in water but miscible with organic solvents. It is reactive towards nucleophiles and bases, making it suitable for various chemical transformations.

How is Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5) typically synthesized?

Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5) can be synthesized through the condensation of dimethyl phosphate and ethylene glycol, usually catalyzed by a metal oxide such as ZnO or Al2O3. The reaction is carried out under mild conditions, yielding a product with a high selectivity for the desired compound with good yield.

What industries use Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5)?

Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5) finds application in the pharmaceutical industry for the synthesis of certain drugs, in polymer science for the modification of polymers, in sensor technology for chemical sensing applications, and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5)?

When handling Dimethyl (2-hydroxyethyl)phosphonate (CAS: 54731-72-5), always use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Carefully follow safety data sheets (SDS) for proper spill handling and disposal. Store in a dry, cool place away from oxidizing agents and strong acids.