Diethyl (cyanomethyl)phosphonate

Basic Information

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CAS Number

2537-48-6

Molecular Formula

C6H12NO3P

Molecular Weight

177.14 g/mol

EINECS

219-806-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Physical State

Clear colorless to light yellow

Boiling Point

101-102 °C0.4 mm Hg

Density

1.095 g/mL at 25 °C

Water Solubility

Miscible with water, chloroform, terahydrofuran, ethyl acetate and methylene chloride.

Flash Point

>230 °F

Solubility

Chloroform (Soluble), Methanol (Slightly)

Refractive Index

n20/D 1.434(lit.)

SMILES

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CCOP(=O)(CC#N)OCC

InChI

InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3

InChIKey

KWMBADTWRIGGGG-UHFFFAOYSA-N

LogP

1.77608

Complexity

185

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Cyanomethanephosphonic acid, diethyl ester
AB00168
diethylcyanomethylphosphonate
EINECS 219-806-0
Diethyl cyanomethyl phosphonate
BP-21396
diethyl cyanomethyl-phosphonate
Diethylphosphonoacetonitrile
NS00027877
C6H12NO3P
2-(Diethylphosphonyl)acetonitrile
cyanomethyl phosphonic acid diethylester
DTXSID20180015
EN300-55952
CS-W018504
FT-0624834
MFCD00001893
(EtO)2POCH2CN
HY-76459
Diethyl cyanomethylphosphonate, 98%
CYANOMETHANEPHOSPHONIC ACID DIETHYL ESTER
(Cyanomethyl)diethoxyphosphine oxide
Diethyl cyanomethylphosphonate
(Diethoxyphosphoryl)acetonitrile
(Diethylphosphono)acetonitrile
diethyl(cyanomethyl)-phosphonate
AS-17377
2-diethoxyphosphorylacetonitrile
2537-48-6
NSC-407826
Diethyl (cyanomethyl)phosphonate

MDL Number

MFCD00001893

EC Number

219-806-0

Customs Code

29310095

FAQ

What is Diethyl (cyanomethyl)phosphonate (CAS: 2537-48-6)?

Diethyl (cyanomethyl)phosphonate is an organic phosphonate ester with the chemical formula C5H11NO2P. It features a cyanomethyl group attached to a phosphonate core, making it a versatile intermediate in chemical synthesis. The compound is typically a colorless liquid with a slightly sharp odor, known for its reactivity and applications in pharmaceutical and industrial chemistry.

What are the main uses of Diethyl (cyanomethyl)phosphonate (CAS: 2537-48-6)?

Diethyl (cyanomethyl)phosphonate is widely used in pharmaceuticals as a precursor for drug development, including antiviral and antifungal compounds. In industry, it serves as a reagent in the synthesis of organic materials and agrochemicals. It also finds applications in research for creating phosphorus-containing molecules and in the production of specialty chemicals requiring functional group modification.

Is Diethyl (cyanomethyl)phosphonate (CAS: 2537-48-6) safe?

Diethyl (cyanomethyl)phosphonate is classified as a hazardous chemical due to its potential toxicity. Safety measures include wearing protective gloves, goggles, and lab coats, and ensuring proper ventilation. Handling should follow OSHA and EPA guidelines to minimize exposure risks. It is recommended to work with the compound in controlled environments to avoid contact with skin, eyes, or inhalation.

How should Diethyl (cyanomethyl)phosphonate (CAS: 2537-48-6) be stored?

Diethyl (cyanomethyl)phosphonate should be stored in a cool, dry place at temperatures below 25°C, away from light. It requires airtight, sealed containers made of materials like glass or high-density polyethylene to prevent degradation. Maintaining low humidity and avoiding exposure to moisture or air is crucial for stability. Always store in a well-ventilated area and keep远离 incompatible substances.