3-Ethylbenzonitrile
3-Ethylbenzonitrile structure
|
Common Name | 3-Ethylbenzonitrile | ||
|---|---|---|---|---|
| CAS Number | 34136-57-7 | Molecular Weight | 131.174 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 215.8±9.0 °C at 760 mmHg | |
| Molecular Formula | C9H9N | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 84.0±11.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Ethylbenzonitrile |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 215.8±9.0 °C at 760 mmHg |
| Molecular Formula | C9H9N |
| Molecular Weight | 131.174 |
| Flash Point | 84.0±11.2 °C |
| Exact Mass | 131.073502 |
| PSA | 23.79000 |
| LogP | 2.65 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.524 |
| InChIKey | WEDBHNMGFLTQNC-UHFFFAOYSA-N |
| SMILES | CCc1cccc(C#N)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | 20/21/22-36/37/38 |
| Safety Phrases | 26-36/37/39 |
| RIDADR | UN 3276 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~62%
3-Ethylbenzonitrile CAS#:34136-57-7 |
| Literature: Alantos Pharmaceuticals, Inc., Patent: US2006/173183 A1, 2006 ; Location in patent: Page/Page column 82 ; |
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~16%
3-Ethylbenzonitrile CAS#:34136-57-7
Learn More
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| Literature: Journal of Organic Chemistry, , vol. 58, # 24 p. 6908 - 6910 |
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3-Ethylbenzonitrile CAS#:34136-57-7 |
| Literature: Journal of the American Chemical Society, , vol. 77, p. 3763,3764 |
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3-Ethylbenzonitrile CAS#:34136-57-7 |
| Literature: Journal of the Chemical Society, , p. Spl. 229 |
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3-Ethylbenzonitrile CAS#:34136-57-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 417, p. 87 |
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3-Ethylbenzonitrile CAS#:34136-57-7 |
| Literature: Journal of the Chemical Society, , p. Spl. 229 |
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.
| 3-Aethyl-benzonitril |
| 3-Ethyl-benzoenitril |
| 1-cyano-3-ethylbenzene |
| m-cyanoethylbenzene |
| 3-ethylbenzenecarbonitrile |
| Benzonitrile,3-ethyl |
| m-Ethylbenzonitrile |
| 3-Ethylbenzonitrile |
| 3-ethyl benzonitrile |
| 3-Ethylbenzonitril |
| MFCD00045601 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-Ethylbenzonitrile? |
| A: InChIKey of 3-Ethylbenzonitrile is WEDBHNMGFLTQNC-UHFFFAOYSA-N. |
| Q: What is the boiling point of 3-Ethylbenzonitrile? |
| A: Boiling point of 3-Ethylbenzonitrile is 215.8±9.0 °C at 760 mmHg. |
| Q: What English synonyms does 3-Ethylbenzonitrile have? |
| A: English synonyms of 3-Ethylbenzonitrile: 3-Aethyl-benzonitril, 3-Ethyl-benzoenitril, 1-cyano-3-ethylbenzene, m-cyanoethylbenzene, 3-ethylbenzenecarbonitrile, Benzonitrile,3-ethyl, m-Ethylbenzonitrile, 3-Ethylbenzonitrile, 3-ethyl benzonitrile, 3-Ethylbenzonitril, MFCD00045601. |
| Q: What is the CAS number of 3-Ethylbenzonitrile? |
| A: CAS number of 3-Ethylbenzonitrile is 34136-57-7. |
| Q: What is the safety information for 3-Ethylbenzonitrile? |
| A: Safety information for 3-Ethylbenzonitrile: 26-36/37/39. |
| Q: What is the English name of 3-Ethylbenzonitrile? |
| A: The English name of 3-Ethylbenzonitrile is 3-Ethylbenzonitrile. |
| Q: What is the molecular formula of 3-Ethylbenzonitrile? |
| A: Molecular formula of 3-Ethylbenzonitrile is C9H9N. |
| Q: What is the polar surface area (PSA) of 3-Ethylbenzonitrile? |
| A: Polar surface area (PSA) of 3-Ethylbenzonitrile is 23.79000. |
| Q: What is the SMILES notation of 3-Ethylbenzonitrile? |
| A: SMILES notation of 3-Ethylbenzonitrile is CCc1cccc(C#N)c1. |
| Q: What is the molecular weight of 3-Ethylbenzonitrile? |
| A: Molecular weight of 3-Ethylbenzonitrile is 131.174. |
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. |