Ethyl (diphenoxyphosphoryl)acetate

Basic Information

View in Editor

CAS Number

16139-79-0

Molecular Formula

C16H17O5P

Molecular Weight

320.28 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

Physical State

Solid

Boiling Point

220°C/3mmHg

Flash Point

223.397°C

Refractive Index

1.5320-1.5360

SMILES

View in Editor

CCOC(=O)CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C16H17O5P/c1-2-19-16(17)13-22(18,20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

InChIKey

UQMFCYBSUVRGNU-UHFFFAOYSA-N

LogP

3.9006000000000025

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

362

Safety Information

View Safety Information

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Sensitiveness

thermally sensitive

Synonyms & References

English

MFCD01321165
SCHEMBL1450572
C16H17O5P
Ethyl 2-diphenoxyphosphorylacetate
ethyl(diphenoxyphosphoryl)acetate
4-METHOXY-2-NAPHTHYLAMINEP-TOLUENESULFONATESALT
Ethyl diphenylphosphono acetate
16139-79-0
A883107
AKOS016008526
Diphenylphosphonoacetic Acid Ethyl Ester
Ethyl Diphenylphosphonoacetate
AS-68437
Acetic acid, 2-(diphenoxyphosphinyl)-, ethyl ester
DTXSID40453612
Acetic acid, (diphenoxyphosphinyl)-, ethyl ester
Ethyl 2-(diphenoxyphosphoryl)acetate
UQMFCYBSUVRGNU-UHFFFAOYSA-N
ethyl (diphenoxyphosphoryl)acetate
D2547
Ethyl Diphenylphosphonoacetate [Horner-Emmons Reagent]
Acetic acid,2-(diphenoxyphosphinyl)-, ethyl ester
DIPHENYLPHOSPHONOACETIC ACID ETHYL ESTER [HORNER-EMMONS REAGENT]
ethyl 2-diphenoxyphosphorylacetate
(diphenoxyphosphoryl)acetic acid ethyl ester
(PhO)2P(O)CH2CO2Et
diphenylphosphonoacetic acid ethyl ester
ethyl 2-(diphenylphosphono)acetate
ethyl 2-(diphenylphosphonyl)acetate
Ethyl (diphenoxyphosphinyl)acetate
8165AA

MDL Number

MFCD01321165

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Ethyl (diphenoxyphosphoryl)acetate (CAS: 16139-79-0)?

Ethyl (diphenoxyphosphoryl)acetate is a colorless to pale yellow liquid with a high specific gravity. Its molecular weight is approximately 322.23 g/mol. This compound is moderately soluble in common organic solvents like ethanol and acetone. It exhibits good reactivity in phosphoryl transfer reactions.

How is Ethyl (diphenoxyphosphoryl)acetate (CAS: 16139-79-0) typically synthesized?

Ethyl (diphenoxyphosphoryl)acetate is synthesized by the reaction of phosphorus pentoxide with ethyl acetate in the presence of diphenoxyphosphoryl chloride. The process involves multistep reactions, with high selectivity and a yield of about 85%. The reaction is typically carried out under anhydrous conditions to prevent side reactions.

What industries use Ethyl (diphenoxyphosphoryl)acetate (CAS: 16139-79-0)?

Ethyl (diphenoxyphosphoryl)acetate is used in pharmaceuticals for organic synthesis, particularly in the preparation of certain phosphorus-containing compounds. It is also used in the polymer industry for modifying polymer properties and in sensor development for its reactivity with specific chemical species.

What precautions should be taken when handling Ethyl (diphenoxyphosphoryl)acetate (CAS: 16139-79-0)?

Handling Ethyl (diphenoxyphosphoryl)acetate requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a well-ventilated area, away from heat and ignition sources. In case of spill, avoid direct contact and use appropriate PPE. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures.