Benzyl (diethoxyphosphoryl)acetate

Basic Information

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CAS Number

7396-44-3

Molecular Formula

C13H19O5P

Molecular Weight

286.26 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

386.9°C at 760 mmHg

Density

1.167

Flash Point

201.3°C

Refractive Index

1.491

SMILES

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CCOP(=O)(CC(=O)OCC1=CC=CC=C1)OCC

InChI

InChI=1S/C13H19O5P/c1-3-17-19(15,18-4-2)11-13(14)16-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey

OTRQFHJPBPUOES-UHFFFAOYSA-N

LogP

2.9959000000000016

Topological Polar Surface Area

61.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

302

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

DTXSID00299957
diethyl (benzyloxycarbonylmethyl)phosphonate
NSC133869
AKOS016004840
Benzyl 2-(diethoxyphosphoryl)acetate
benzyl 2-diethoxyphosphorylacetate
Acetic acid, (diethoxyphosphinyl)-, phenylmethyl ester
A865990
benzyl diethylphosphonoacetate
7396-44-3
OTRQFHJPBPUOES-UHFFFAOYSA-N
MFCD09263511
C13H19O5P
SCHEMBL5849992
SY108501
CS-0103311
Diethyl(benzyloxycarbonylmethyl)phosphonate
benzyl (diethoxyphosphoryl)acetate
C76363
Benzyl2-(diethoxyphosphoryl)acetate
(Diethoxy-phosphoryl)-acetic acid benzyl ester
NSC-133869
Diethyl (benzyloxycarbonylmethyl)phosphonate
Acetic acid,2-(diethoxyphosphinyl)-, phenylmethyl ester
(diethoxyphosphoryl)acetic acid benzyl ester
benzyl diethoxyphosphonoacetate
benzyl diethylphosphoryl acetate
benzyl O,O-diethylphosphonoacetate
benzyl(diethoxyphosphoryl)acetate
diethyl [(benzyloxycarbonyl)methyl]phosphonate
(Diethoxyphosphinyl)acetic acid phenylmethyl ester

MDL Number

MFCD09263511

Customs Code

2931900090

FAQ

What regulatory guidelines apply to Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3)?

Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3) falls under various regulatory guidelines. It is classified as a hazardous substance under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) due to its flammable and potentially toxic properties. In the European Union, it is regulated under REACH, requiring manufacturers and importers to register chemicals and provide safety data sheets. The U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) also have specific requirements for handling and use of such chemicals.

Are there alternatives to Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3) in synthesis?

Alternatives to Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3) in synthesis include other phosphorus-containing compounds such as diethyl phosphite or triethyl phosphite. These alternatives can serve similar functional roles in organic synthesis but may have different reactivity and safety profiles. It is important to evaluate the specific needs of the synthesis to choose the most suitable alternative.

What is the market or research trend for Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3)?

The market for Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3) is driven by its use in pharmaceuticals, agrochemicals, and as an intermediate in the synthesis of other chemicals. Research trends are focusing on its application in developing more efficient and eco-friendly synthesis methods. Additionally, there is an increasing emphasis on understanding its toxicity and environmental impact to guide its sustainable use and disposal.

How should waste containing Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3) be handled?

Waste containing Benzyl (diethoxyphosphoryl)acetate (CAS: 7396-44-3) should be collected in appropriate containers and stored separately to prevent contamination. It should be incinerated or disposed of by a professional waste disposal service due to its hazardous nature. Proper protective measures should be taken during handling, and waste should be managed in accordance with local and international regulations to ensure environmental safety and compliance.