2-phenylindole-3-acetonitrile
2-phenylindole-3-acetonitrile structure
|
Common Name | 2-phenylindole-3-acetonitrile | ||
|---|---|---|---|---|
| CAS Number | 27005-52-3 | Molecular Weight | 232.28000 | |
| Density | 1.201g/cm3 | Boiling Point | 120 °C (20.2527 mmHg) | |
| Molecular Formula | C16H12N2 | Melting Point | 217-224 °C | |
| MSDS | N/A | Flash Point | 154.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(2-phenyl-1H-indol-3-yl)acetonitrile |
|---|---|
| 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 | 1.201g/cm3 |
|---|---|
| Boiling Point | 120 °C (20.2527 mmHg) |
| Melting Point | 217-224 °C |
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.28000 |
| Flash Point | 154.4ºC |
| Exact Mass | 232.10000 |
| PSA | 39.58000 |
| LogP | 3.90098 |
| Vapour Pressure | 6.75E-10mmHg at 25°C |
| Index of Refraction | 1.674 |
| InChIKey | CNAHOBNLHXZPRN-UHFFFAOYSA-N |
| SMILES | N#CCc1c(-c2ccccc2)[nH]c2ccccc12 |
| Water Solubility | 100 g/100 mL |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . |
|---|---|
| Safety Phrases | S36/37/39 |
| RIDADR | 3276 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2933990090 |
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 4 | |
|---|---|
| DownStream 2 | |
CAS#:97945-27-2
CAS#:4662-03-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-phenyl-3-indolylacetonitrile |
| 2-Phenylindol-3-yl-acetonitril |
| 2-Phenylindole-3-acetonitrile |
| 1H-Indole-3-acetonitrile,2-phenyl |
| MFCD00798596 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: SMILES notation of 2-(2-phenyl-1H-indol-3-yl)acetonitrile is N#CCc1c(-c2ccccc2)[nH]c2ccccc12. |
| Q: What is the safety information for 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: Safety information for 2-(2-phenyl-1H-indol-3-yl)acetonitrile: S36/37/39. |
| Q: What is the molecular weight of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: Molecular weight of 2-(2-phenyl-1H-indol-3-yl)acetonitrile is 232.28000. |
| Q: How is the water solubility of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: Water solubility of 2-(2-phenyl-1H-indol-3-yl)acetonitrile: 100 g/100 mL. |
| Q: What is the InChIKey of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: InChIKey of 2-(2-phenyl-1H-indol-3-yl)acetonitrile is CNAHOBNLHXZPRN-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: Related upstream materials(CAS) of 2-(2-phenyl-1H-indol-3-yl)acetonitrile: 591-50-4;948-65-2;107734-06-5;59050-38-3. |
| Q: What is the boiling point of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: Boiling point of 2-(2-phenyl-1H-indol-3-yl)acetonitrile is 120 °C (20.2527 mmHg). |
| Q: What English synonyms does 2-(2-phenyl-1H-indol-3-yl)acetonitrile have? |
| A: English synonyms of 2-(2-phenyl-1H-indol-3-yl)acetonitrile: 2-phenyl-3-indolylacetonitrile, 2-Phenylindol-3-yl-acetonitril, 2-Phenylindole-3-acetonitrile, 1H-Indole-3-acetonitrile,2-phenyl, MFCD00798596. |
| Q: What is the LogP of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: LogP of 2-(2-phenyl-1H-indol-3-yl)acetonitrile is 3.90098. |
| Q: What is the English name of 2-(2-phenyl-1H-indol-3-yl)acetonitrile? |
| A: The English name of 2-(2-phenyl-1H-indol-3-yl)acetonitrile is 2-(2-phenyl-1H-indol-3-yl)acetonitrile. |
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. |