2-(Trifluoromethyl)benzoylacetonitrile
2-(Trifluoromethyl)benzoylacetonitrile structure
|
Common Name | 2-(Trifluoromethyl)benzoylacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 40018-10-8 | Molecular Weight | 213.15600 | |
| Density | 1.296g/cm3 | Boiling Point | 308.9ºC at 760 mmHg | |
| Molecular Formula | C10H6F3NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 140.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile |
|---|---|
| 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 | 1.296g/cm3 |
|---|---|
| Boiling Point | 308.9ºC at 760 mmHg |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.15600 |
| Flash Point | 140.6ºC |
| Exact Mass | 213.04000 |
| PSA | 40.86000 |
| LogP | 2.80178 |
| Index of Refraction | 1.469 |
| InChIKey | ULZOOHHGJMAKCY-UHFFFAOYSA-N |
| SMILES | N#CCC(=O)c1ccccc1C(F)(F)F |
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.
|
~%
2-(Trifluoromet... CAS#:40018-10-8 |
| Literature: NOVARTIS AG Patent: WO2008/62026 A1, 2008 ; Location in patent: Page/Page column 31 ; WO 2008/062026 A1 |
|
~90%
2-(Trifluoromet... CAS#:40018-10-8 |
| Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602 |
|
~%
2-(Trifluoromet... CAS#:40018-10-8 |
| Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 1 | |
CAS#:502133-02-0This 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.
| o-trifluoromethylphenacylcyanide |
| 3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile |
| o-Trifluormethylphenacylcyanid |
| 2-TRIFLUOROMETHYLBENZOYLACETONITRILE |
| 3-oxo-3-(2-trifluoromethylphenyl)propionitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: Molecular formula of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is C10H6F3NO. |
| Q: What English synonyms does 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile have? |
| A: English synonyms of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile: o-trifluoromethylphenacylcyanide, 3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile, o-Trifluormethylphenacylcyanid, 2-TRIFLUOROMETHYLBENZOYLACETONITRILE, 3-oxo-3-(2-trifluoromethylphenyl)propionitrile. |
| Q: What are the downstream products of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: Related downstream products(CAS) of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile: 502133-02-0. |
| Q: What is the English name of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: The English name of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile. |
| Q: What is the SMILES notation of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: SMILES notation of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is N#CCC(=O)c1ccccc1C(F)(F)F. |
| Q: What is the CAS number of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: CAS number of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is 40018-10-8. |
| Q: What is the LogP of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: LogP of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is 2.80178. |
| Q: What is the polar surface area (PSA) of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: Polar surface area (PSA) of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is 40.86000. |
| Q: What is the molecular weight of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: Molecular weight of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is 213.15600. |
| Q: What is the boiling point of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile? |
| A: Boiling point of 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is 308.9ºC at 760 mmHg. |
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. |