1-(benzenesulfonyl)pyrrole-2-carbonitrile
1-(benzenesulfonyl)pyrrole-2-carbonitrile structure
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Common Name | 1-(benzenesulfonyl)pyrrole-2-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 97188-22-2 | Molecular Weight | 232.25800 | |
| Density | 1.28g/cm3 | Boiling Point | 446.8ºC at 760 mmHg | |
| Molecular Formula | C11H8N2O2S | Melting Point | 93-96ºC(lit.) | |
| MSDS | N/A | Flash Point | 224ºC | |
Summary: 1-(benzenesulfonyl)pyrrole-2-carbonitrile, also known as 1-(苯磺酰)-2-吡咯甲腈, CAS number 97188-22-2, molecular formula C11H8N2O2S, molecular weight 232.25800. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(benzenesulfonyl)pyrrole-2-carbonitrile |
|---|---|
| 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 | 1.28g/cm3 |
|---|---|
| Boiling Point | 446.8ºC at 760 mmHg |
| Melting Point | 93-96ºC(lit.) |
| Molecular Formula | C11H8N2O2S |
| Molecular Weight | 232.25800 |
| Flash Point | 224ºC |
| Exact Mass | 232.03100 |
| PSA | 71.24000 |
| LogP | 2.67758 |
| Index of Refraction | 1.624 |
| InChIKey | XXJCLUNFWADISV-UHFFFAOYSA-N |
| SMILES | N#Cc1cccn1S(=O)(=O)c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | 20/21/22-36/37/38 |
| Safety Phrases | 26-36 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
1-(benzenesulfo... CAS#:97188-22-2 |
| Literature: Sakamoto, Takao; Ohsawa, Kazutoshi Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 16 p. 2323 - 2326 |
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~96%
1-(benzenesulfo... CAS#:97188-22-2 |
| Literature: Anderson, Hugh J.; Loader, Charles E.; Xu, Ru Xun; Le, Nghia; Gogan, Niall J.; et al. Canadian Journal of Chemistry, 1985 , vol. 63, p. 896 - 902 |
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~%
1-(benzenesulfo... CAS#:97188-22-2 |
| Literature: Anderson, Hugh J.; Loader, Charles E.; Xu, Ru Xun; Le, Nghia; Gogan, Niall J.; et al. Canadian Journal of Chemistry, 1985 , vol. 63, p. 896 - 902 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:4513-94-4This 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.
| MFCD00274216 |
| I11-1069 |
| 2-cyano-1-(phenylsulfonyl)pyrrole |
| 1-benzenesulfonylpyrrole-2-carbonitrile |
| 1-(Phenylsulfonyl)pyrrole-2-carbonitrile |
| 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: Related upstream materials(CAS) of 1-(benzenesulfonyl)pyrrole-2-carbonitrile: 544-92-3;247922-33-4;1189-71-5;16851-82-4;98-09-9. |
| Q: What is the English name of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: The English name of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is 1-(benzenesulfonyl)pyrrole-2-carbonitrile. |
| Q: What English synonyms does 1-(benzenesulfonyl)pyrrole-2-carbonitrile have? |
| A: English synonyms of 1-(benzenesulfonyl)pyrrole-2-carbonitrile: MFCD00274216, I11-1069, 2-cyano-1-(phenylsulfonyl)pyrrole, 1-benzenesulfonylpyrrole-2-carbonitrile, 1-(Phenylsulfonyl)pyrrole-2-carbonitrile, 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile. |
| Q: What is the melting point of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: Melting point of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is 93-96ºC(lit.). |
| Q: What is the polar surface area (PSA) of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: Polar surface area (PSA) of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is 71.24000. |
| Q: What is the boiling point of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: Boiling point of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is 446.8ºC at 760 mmHg. |
| Q: What is the InChIKey of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: InChIKey of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is XXJCLUNFWADISV-UHFFFAOYSA-N. |
| Q: What is the LogP of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: LogP of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is 2.67758. |
| Q: What are the downstream products of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: Related downstream products(CAS) of 1-(benzenesulfonyl)pyrrole-2-carbonitrile: 4513-94-4. |
| Q: What is the molecular formula of 1-(benzenesulfonyl)pyrrole-2-carbonitrile? |
| A: Molecular formula of 1-(benzenesulfonyl)pyrrole-2-carbonitrile is C11H8N2O2S. |