DIETHYL (2-OXO-2-PHENYLETHYL)PHOSPHONATE
DIETHYL (2-OXO-2-PHENYLETHYL)PHOSPHONATE structure
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Common Name | DIETHYL (2-OXO-2-PHENYLETHYL)PHOSPHONATE | ||
|---|---|---|---|---|
| CAS Number | 3453-00-7 | Molecular Weight | 256.23500 | |
| Density | 1.179 g/mL at 25ºC(lit.) | Boiling Point | 192-193ºC11 mm Hg(lit.) | |
| Molecular Formula | C12H17O4P | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | >235.4 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-diethoxyphosphoryl-1-phenylethanone |
|---|---|
| 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 | 1.179 g/mL at 25ºC(lit.) |
|---|---|
| Boiling Point | 192-193ºC11 mm Hg(lit.) |
| Molecular Formula | C12H17O4P |
| Molecular Weight | 256.23500 |
| Exact Mass | 256.08600 |
| PSA | 62.41000 |
| LogP | 3.13540 |
| Index of Refraction | n20/D 1.513(lit.) |
| InChIKey | HPEVTTNSIPGLEL-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(CC(=O)c1ccccc1)OCC |
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.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| RIDADR | NONH for all modes of transport |
| HS Code | 2931900090 |
| Flash Point(F) | >235.4 °F |
| Flash Point(C) | >113 °C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:3450-67-7
CAS#:683-08-9
CAS#:98-88-4
CAS#:3095-95-2
CAS#:93-58-3
CAS#:10419-77-9
CAS#:13735-81-4
CAS#:122-52-1
CAS#:292638-84-7
CAS#:762-04-9
CAS#:15121-79-6
CAS#:768-03-6
CAS#:1217357-17-9
CAS#:20030-12-0
CAS#:22966-10-5
CAS#:25142-45-4
CAS#:1080-32-6
CAS#:114245-62-4
CAS#:72019-14-8
CAS#:858644-32-3This 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 lists relevant public references with title, journal and publication metadata for this compound.
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A Convenient Reagent for Aldehyde to Alkyne Homologation.
Tetrahedron Lett. 49th ed.,, 6904, (2008) An convenient reagent for the one-carbon homologation of an aldehyde to the corresponding alkyne is reported. This reagent allows this conversion to conveniently be carried out on a large scale under ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Diethyl Phenacylphosphonate |
| Diethyl Benzoylmethylphosphonate |
| Diethyl phenacyl phosphonate |
| MFCD00015342 |
| diethyl 2-oxo-2-phenylethyl-phosphonate |
| diethyl 2-oxo-2-phenylethanephosphonate |
| Diethyl (2-oxo-2-phenylethyl)phosphonate |
| Diethyl benzoylmethylphosphonate Diethyl phenacylphosphonate |
| (2-Oxo-2-phenylethyl)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 InChIKey of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: InChIKey of 2-diethoxyphosphoryl-1-phenylethanone is HPEVTTNSIPGLEL-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-diethoxyphosphoryl-1-phenylethanone have? |
| A: English synonyms of 2-diethoxyphosphoryl-1-phenylethanone: Diethyl Phenacylphosphonate, Diethyl Benzoylmethylphosphonate, Diethyl phenacyl phosphonate, MFCD00015342, diethyl 2-oxo-2-phenylethyl-phosphonate, diethyl 2-oxo-2-phenylethanephosphonate, Diethyl (2-oxo-2-phenylethyl)phosphonate, Diethyl benzoylmethylphosphonate Diethyl phenacylphosphonate, (2-Oxo-2-phenylethyl)phosphonic Acid Diethyl Ester. |
| Q: What is the polar surface area (PSA) of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: Polar surface area (PSA) of 2-diethoxyphosphoryl-1-phenylethanone is 62.41000. |
| Q: What are the downstream products of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: Related downstream products(CAS) of 2-diethoxyphosphoryl-1-phenylethanone: 15121-79-6;768-03-6;1217357-17-9;20030-12-0;22966-10-5;25142-45-4;1080-32-6;114245-62-4;72019-14-8;858644-32-3. |
| Q: What is the SMILES notation of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: SMILES notation of 2-diethoxyphosphoryl-1-phenylethanone is CCOP(=O)(CC(=O)c1ccccc1)OCC. |
| Q: What is the molecular weight of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: Molecular weight of 2-diethoxyphosphoryl-1-phenylethanone is 256.23500. |
| Q: What is the CAS number of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: CAS number of 2-diethoxyphosphoryl-1-phenylethanone is 3453-00-7. |
| Q: What is the molecular formula of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: Molecular formula of 2-diethoxyphosphoryl-1-phenylethanone is C12H17O4P. |
| Q: What are the upstream materials of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: Related upstream materials(CAS) of 2-diethoxyphosphoryl-1-phenylethanone: 3450-67-7;683-08-9;98-88-4;3095-95-2;93-58-3;10419-77-9;13735-81-4;122-52-1;292638-84-7;762-04-9. |
| Q: What is the boiling point of 2-diethoxyphosphoryl-1-phenylethanone? |
| A: Boiling point of 2-diethoxyphosphoryl-1-phenylethanone is 192-193ºC11 mm Hg(lit.). |
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. |