3-(2,6-Difluorophenyl)-3-oxopropanenitrile
3-(2,6-Difluorophenyl)-3-oxopropanenitrile structure
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Common Name | 3-(2,6-Difluorophenyl)-3-oxopropanenitrile | ||
|---|---|---|---|---|
| CAS Number | 40017-76-3 | Molecular Weight | 181.139 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 289.9±30.0 °C at 760 mmHg | |
| Molecular Formula | C9H5F2NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 129.2±24.6 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(2,6-difluorophenyl)-3-oxopropanenitrile |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 289.9±30.0 °C at 760 mmHg |
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.139 |
| Flash Point | 129.2±24.6 °C |
| Exact Mass | 181.033920 |
| PSA | 40.86000 |
| LogP | 0.27 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.498 |
| InChIKey | UFGUAZITUTVDOC-UHFFFAOYSA-N |
| SMILES | N#CCC(=O)c1c(F)cccc1F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~70%
3-(2,6-Difluoro... CAS#:40017-76-3 |
| Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602 |
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~%
3-(2,6-Difluoro... CAS#:40017-76-3 |
| Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602 |
|
~%
3-(2,6-Difluoro... CAS#:40017-76-3 |
| Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,6-Difluorobenzoylacetonitrile |
| PC9044 |
| 2',6'-Difluorphenacylcyanid |
| 2,5-DIFLUORO-BENZAMIDINE |
| 2,6-Difluorophenacyl cyanide |
| AM976 |
| 3-(2,6-Difluorophenyl)-3-oxopropanenitrile |
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 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: The English name of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is 3-(2,6-difluorophenyl)-3-oxopropanenitrile. |
| Q: What is the SMILES notation of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: SMILES notation of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is N#CCC(=O)c1c(F)cccc1F. |
| Q: What is the InChIKey of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: InChIKey of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is UFGUAZITUTVDOC-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-(2,6-difluorophenyl)-3-oxopropanenitrile have? |
| A: English synonyms of 3-(2,6-difluorophenyl)-3-oxopropanenitrile: 2,6-Difluorobenzoylacetonitrile, PC9044, 2',6'-Difluorphenacylcyanid, 2,5-DIFLUORO-BENZAMIDINE, 2,6-Difluorophenacyl cyanide, AM976, 3-(2,6-Difluorophenyl)-3-oxopropanenitrile. |
| Q: What is the molecular formula of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: Molecular formula of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is C9H5F2NO. |
| Q: What is the polar surface area (PSA) of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: Polar surface area (PSA) of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is 40.86000. |
| Q: What is the molecular weight of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: Molecular weight of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is 181.139. |
| Q: What is the boiling point of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: Boiling point of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is 289.9±30.0 °C at 760 mmHg. |
| Q: What is the LogP of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: LogP of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is 0.27. |
| Q: What is the CAS number of 3-(2,6-difluorophenyl)-3-oxopropanenitrile? |
| A: CAS number of 3-(2,6-difluorophenyl)-3-oxopropanenitrile is 40017-76-3. |
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. |