Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester
Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester structure
|
Common Name | Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester | ||
|---|---|---|---|---|
| CAS Number | 29668-61-9 | Molecular Weight | 191.16500 | |
| Density | 1.094g/cm3 | Boiling Point | 279.5ºC at 760mmHg | |
| Molecular Formula | C7H14NO3P | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 122.8ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2-diethoxyphosphorylpropanenitrile, also known as Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester, with CAS number 29668-61-9, has a molecular formula of C7H14NO3P and a molecular weight of 191.16500. It is a colorless liquid with a boiling point of 279.5ºC and a density of 1.094g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-diethoxyphosphorylpropanenitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.094g/cm3 |
|---|---|
| Boiling Point | 279.5ºC at 760mmHg |
| Molecular Formula | C7H14NO3P |
| Molecular Weight | 191.16500 |
| Flash Point | 122.8ºC |
| Exact Mass | 191.07100 |
| PSA | 69.13000 |
| LogP | 2.16458 |
| Vapour Pressure | 0.004mmHg at 25°C |
| Index of Refraction | n20/D 1.432(lit.) |
| InChIKey | UMLWEPGSWQNXQX-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(OCC)C(C)C#N |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | UN 2927 |
| Packaging Group | II |
| Hazard Class | 6.1(a) |
| HS Code | 2931900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~94%
Phosphonic acid... CAS#:29668-61-9 |
| Literature: Sovdat, Tina; Bassolino, Giovanni; Liebel, Matz; Schnedermann, Christoph; Fletcher, Stephen P.; Kukura, Philipp Journal of the American Chemical Society, 2012 , vol. 134, # 20 p. 8318 - 8320 |
|
~73%
Phosphonic acid... CAS#:29668-61-9 |
| Literature: Simon, Joachim R.; Neidlein, Richard Synthesis, 2000 , # 8 p. 1101 - 1108 |
|
~%
Phosphonic acid... CAS#:29668-61-9 |
| Literature: Raggio; Watt The Journal of organic chemistry, 1976 , vol. 41, # 10 p. 1873 - 1875 |
|
~%
Phosphonic acid... CAS#:29668-61-9 |
| Literature: Pudowik; Lebedewa Zhurnal Obshchei Khimii, 1955 , vol. 25, p. 2235,2237,2239;engl.Ausg.S.2199,2201,2202 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 5 | |
CAS#:1068-21-9
CAS#:7549-88-4
CAS#:53153-76-7
CAS#:60727-64-2
CAS#:63089-63-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2931900090 |
|---|---|
| Summary | 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD01457302 |
| 1-Cyanoethylphosphonsaeurediethylester |
| diethyl(1-cyanoethyl)phosphonate |
| diethyl 1-cyanoethanephosphonate |
| (EtO)2POCH(CH3)CN |
| (1-cyano-1-methyl-methyl)-phosphonic acid diethyl ester |
| (1-Cyanoethyl)phosphonic acid diethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-diethoxyphosphorylpropanenitrile? |
| A: The English name of 2-diethoxyphosphorylpropanenitrile is 2-diethoxyphosphorylpropanenitrile. |
| Q: What is the SMILES notation of 2-diethoxyphosphorylpropanenitrile? |
| A: SMILES notation of 2-diethoxyphosphorylpropanenitrile is CCOP(=O)(OCC)C(C)C#N. |
| Q: What is the InChIKey of 2-diethoxyphosphorylpropanenitrile? |
| A: InChIKey of 2-diethoxyphosphorylpropanenitrile is UMLWEPGSWQNXQX-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-diethoxyphosphorylpropanenitrile? |
| A: Molecular weight of 2-diethoxyphosphorylpropanenitrile is 191.16500. |
| Q: What are the downstream products of 2-diethoxyphosphorylpropanenitrile? |
| A: Related downstream products(CAS) of 2-diethoxyphosphorylpropanenitrile: 1068-21-9;7549-88-4;53153-76-7;60727-64-2;63089-63-4. |
| Q: What is the LogP of 2-diethoxyphosphorylpropanenitrile? |
| A: LogP of 2-diethoxyphosphorylpropanenitrile is 2.16458. |
| Q: What is the polar surface area (PSA) of 2-diethoxyphosphorylpropanenitrile? |
| A: Polar surface area (PSA) of 2-diethoxyphosphorylpropanenitrile is 69.13000. |
| Q: What are the upstream materials of 2-diethoxyphosphorylpropanenitrile? |
| A: Related upstream materials(CAS) of 2-diethoxyphosphorylpropanenitrile: 814-49-3;107-12-0;2537-48-6;74-88-4;122-52-1;19481-82-4. |
| Q: What is the molecular formula of 2-diethoxyphosphorylpropanenitrile? |
| A: Molecular formula of 2-diethoxyphosphorylpropanenitrile is C7H14NO3P. |
| Q: What English synonyms does 2-diethoxyphosphorylpropanenitrile have? |
| A: English synonyms of 2-diethoxyphosphorylpropanenitrile: MFCD01457302, 1-Cyanoethylphosphonsaeurediethylester, diethyl(1-cyanoethyl)phosphonate, diethyl 1-cyanoethanephosphonate, (EtO)2POCH(CH3)CN, (1-cyano-1-methyl-methyl)-phosphonic acid diethyl ester, (1-Cyanoethyl)phosphonic acid diethyl ester. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |