N-(3-CYANOPHENYL)PYRROLE
N-(3-CYANOPHENYL)PYRROLE structure
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Common Name | N-(3-CYANOPHENYL)PYRROLE | ||
|---|---|---|---|---|
| CAS Number | 175134-98-2 | Molecular Weight | 168.19500 | |
| Density | 1.05g/cm3 | Boiling Point | 306.3ºC at 760mmHg | |
| Molecular Formula | C11H8N2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 139.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-pyrrol-1-ylbenzonitrile |
|---|---|
| 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 | 1.05g/cm3 |
|---|---|
| Boiling Point | 306.3ºC at 760mmHg |
| Molecular Formula | C11H8N2 |
| Molecular Weight | 168.19500 |
| Flash Point | 139.1ºC |
| Exact Mass | 168.06900 |
| PSA | 28.72000 |
| LogP | 2.34898 |
| Vapour Pressure | 0.000776mmHg at 25°C |
| Index of Refraction | 1.589 |
| InChIKey | XXKIAELSMMDZRB-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(-n2cccc2)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S22-S24/25 |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~93%
N-(3-CYANOPHENY... CAS#:175134-98-2 |
| Literature: Journal of Medicinal Chemistry, , vol. 44, # 4 p. 566 - 578 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
CAS#:209958-45-2This 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.
| 3-pyrrolylbenzenecarbonitrile |
| N-(3-Cyanophenyl)pyrrole |
| 3-(1H-pyrrol-1-yl)benzonitrile |
| 1-(3-cyanophenyl)pyrrole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-pyrrol-1-ylbenzonitrile? |
| A: Molecular weight of 3-pyrrol-1-ylbenzonitrile is 168.19500. |
| Q: What are the downstream products of 3-pyrrol-1-ylbenzonitrile? |
| A: Related downstream products(CAS) of 3-pyrrol-1-ylbenzonitrile: 209958-45-2. |
| Q: What English synonyms does 3-pyrrol-1-ylbenzonitrile have? |
| A: English synonyms of 3-pyrrol-1-ylbenzonitrile: 3-pyrrolylbenzenecarbonitrile, N-(3-Cyanophenyl)pyrrole, 3-(1H-pyrrol-1-yl)benzonitrile, 1-(3-cyanophenyl)pyrrole. |
| Q: What is the InChIKey of 3-pyrrol-1-ylbenzonitrile? |
| A: InChIKey of 3-pyrrol-1-ylbenzonitrile is XXKIAELSMMDZRB-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-pyrrol-1-ylbenzonitrile? |
| A: Polar surface area (PSA) of 3-pyrrol-1-ylbenzonitrile is 28.72000. |
| Q: What is the safety information for 3-pyrrol-1-ylbenzonitrile? |
| A: Safety information for 3-pyrrol-1-ylbenzonitrile: S22-S24/25. |
| Q: What is the molecular formula of 3-pyrrol-1-ylbenzonitrile? |
| A: Molecular formula of 3-pyrrol-1-ylbenzonitrile is C11H8N2. |
| Q: What is the SMILES notation of 3-pyrrol-1-ylbenzonitrile? |
| A: SMILES notation of 3-pyrrol-1-ylbenzonitrile is N#Cc1cccc(-n2cccc2)c1. |
| Q: What is the LogP of 3-pyrrol-1-ylbenzonitrile? |
| A: LogP of 3-pyrrol-1-ylbenzonitrile is 2.34898. |
| Q: What is the CAS number of 3-pyrrol-1-ylbenzonitrile? |
| A: CAS number of 3-pyrrol-1-ylbenzonitrile is 175134-98-2. |
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. |