Diethyl (1-cyanoethyl)phosphonate
ALDRICH/408573 - 97%
Synonym: (1-
CAS Number: 29668-61-9
Empirical Formula (Hill Notation): C7H14NO3P
Molecular Weight: 191.16
MDL Number: MFCD01457302
Linear Formula: CH3CH(CN)P(O)(OC2H5)2
Product Type: Chemical
| assay | 97% |
| bp | 140-141 °C/11 mmHg (lit.) |
| density | 1.085 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | nitrile |
| phosphonate | |
| InChI | 1S/C7H14NO3P/c1-4-10-12(9 |
| InChI key | UMLWEPGSWQNXQX-UHFFFAOYSA |
| Quality Level | 200 ![]() |
| reaction suitability | reaction type: C-C Bond Formation |
| refractive index | n |
| SMILES string | CCOP(=O)(OCC)C(C)C#N |
| Application: | Reacant for: • Preparation of sphingosine phosphate receptor (S1P) agonists with N-cinnamyl-ß-alanine moiety • Preparation of benzyl- and benzoyldimethylaminopyrid • Stereoselective preparation of cyano(trifluoromethyl)pen • Synthesis of [(methylenepiperidinyl) or (methylenepyrrolidinyl)fl • Horner-Wadsworth-Emmons olefination |
| Packaging: | 5 g in glass bottle |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | 97% |
| bp | 140-141 °C/11 mmHg (lit.) |
| Density | 1.085 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352108 |


