Methyl (diethoxyphosphoryl)acetate

Basic Information

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CAS Number

1067-74-9

Molecular Formula

C7H15O5P

Molecular Weight

210.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

127-131 °C/9 mmHg

Solubility

Miscible with tetrahydrofuran.

Refractive Index

n20/D 1.433(lit.)

SMILES

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CCOP(=O)(CC(=O)OC)OCC

InChI

InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3

InChIKey

CTSAXXHOGZNKJR-UHFFFAOYSA-N

LogP

1.4255

Topological Polar Surface Area

61.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

193

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SY011275
Methyl P,P-diethylphosphonoacetate
FT-0605376
AC7892
[(Methoxycarbonyl)methyl]phosphonic acid diethyl ester
methyl (diethylphosphono)acetate
Diethyl carbomethoxymethylphosphonate
methyl 2-diethoxyphosphorylacetate
SCHEMBL337596
BCP24422
NSC 147757
methyldiethylphosphonoacetate
CS-W019238
NSC147757
methyl 2-(diethoxyphosphoryl)acetate
J-001647
HY-W018452
(diethoxyphosphoryl)acetic acid methyl ester
1067-74-9
Methyl-(diethylphosphono)acetate
MFCD00009081
AKOS015899803
D2873
methyl diethyl phosphonoacetate
A801502
AMY3768
diethyl(methoxycarbonylmethyl)phosphonate
methyl 2-(diethyl phosphono)acetate
(Methoxycarbonylmethyl) diethoxyphosphine oxide
Acetic acid, (diethoxyphosphinyl)-, methyl ester
Methyl (diethoxyphosphoryl)acetate #

MDL Number

MFCD00009081

Customs Code

29310095

FAQ

What are the physical and chemical properties of Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9)?

Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9) is a colorless to slightly yellow liquid with a molecular weight of approximately 241.24 g/mol. It has a high vapor pressure, making it volatile, and is slightly soluble in water. This compound is known for its strong reactivity, particularly in nucleophilic substitution reactions. It can form explosive mixtures with air and has a pungent odor.

How is Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9) typically synthesized?

Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9) is typically synthesized through the reaction of diethyl phosphite with acetyl chloride in the presence of a mild base such as triethylamine. The reaction is known to be highly exothermic and requires careful temperature control to prevent decomposition. The yield can be up to 85%, depending on the purity of starting materials and reaction conditions.

What industries use Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9)?

Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9) is used in various industries, including pharmaceuticals for the synthesis of certain compounds, polymers for modifying properties, and sensors for detecting specific chemical species. It is also employed in semiconductor manufacturing for cleaning and etching processes due to its reactive nature.

What precautions should be taken when handling Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9)?

When handling Methyl (diethoxyphosphoryl)acetate (CAS: 1067-74-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and safe handling instructions.