Diethyl cyanomethylphosphonate
Synonym(s):(Diethylphosphono)acetonitrile;Cyanomethylphosphonic acid diethyl ester
- CAS NO.：2537-48-6
- Empirical Formula: C6H12NO3P
- Molecular Weight: 177.14
- MDL number: MFCD00001893
- EINECS: 219-806-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 19:01:08
What is Diethyl cyanomethylphosphonate?
Chemical properties
clear colorless to light yellow liquid
The Uses of Diethyl cyanomethylphosphonate
Wittig reagent.
The Uses of Diethyl cyanomethylphosphonate
Diethyl cyanomethyl phosphonate is used as an intermediate in Horner-Emmons reaction for the synthesis of substituted nitriles and their amide and heterocyclic derivatives. It is known as a modified Wittig reagent used in the preparation of alpha, beta-unsaturated nitriles from ketones or aldehydes like 3-hydroxy-3-methylbutanal. It reacts with epoxides and nitrones to prepare cyano-substituted cyclopropanes and aziridines respectively. It is actively involved in the synthesis of alpha-arylated alkanenitriles via reaction with aryl iodides in presence of CuI.
Biological Functions
Diethyl cyanomethylphosphonate can be used to inhibit and/0r prevent the growth of undesirable algae, bacteria, fungi, yeast, and other microorganisms.
General Description
Diethyl cyanomethylphosphonate is a useful chemical and medical intermediate, which can be used as raw material to synthesize nitrogen-haloamine precursor AEP-ADCT containing triazine-phosphate group
Properties of Diethyl cyanomethylphosphonate
| Boiling point: | 101-102 °C0.4 mm Hg(lit.) |
| Density | 1.095 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| form | Liquid |
| color | Clear colorless to light yellow |
| Specific Gravity | 1.1261.095 |
| Water Solubility | Miscible with water, chloroform, terahydrofuran, ethyl acetate and methylene chloride. |
| BRN | 1772981 |
| InChI | InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3 |
| CAS DataBase Reference | 2537-48-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Diethyl cyanomethylphosphonate(2537-48-6) |
Safety information for Diethyl cyanomethylphosphonate
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for Diethyl cyanomethylphosphonate
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
| SMILES | P(CC#N)(=O)(OCC)OCC |
Diethyl cyanomethylphosphonate manufacturer
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