A3411612
Diethyl cyanomethylphosphonate , >98.0%(GC) , 2537-48-6
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
| Pack Size | Price | Stock | Quantity |
| 5G | RMB24.00 | In Stock |
|
| 25G | RMB35.20 | In Stock |
|
| 100G | RMB72.00 | In Stock |
|
| 500G | RMB319.20 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
| SMILES | P(CC#N)(=O)(OCC)OCC |
| CAS DataBase Reference | 2537-48-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Diethyl cyanomethylphosphonate(2537-48-6) |
Description and Uses
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.
Safety
| Symbol(GHS) |   GHS06,GHS07 |
| Signal word | Danger |
| Hazard statements | H301+H311+H331-H315-H319-H302-H312-H331 |
| Precautionary statements | P304+P340-P305+P351+P338-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501 |
| Hazard Codes | Xi,Xn,C |
| Risk Statements | 38-36/37/38-20/21/22-34-36/38 |
| Safety Statements | 26-28-36/37/39-23-45-27-36/37-9 |
| RIDADR | UN 1760 8/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29310095 |
