1-Benzenesulfonyl-1H-indole-3-boronic acid
1-Benzenesulfonyl-1H-indole-3-boronic acid structure
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Common Name | 1-Benzenesulfonyl-1H-indole-3-boronic acid | ||
|---|---|---|---|---|
| CAS Number | 129271-98-3 | Molecular Weight | 301.12500 | |
| Density | 1.35g/cm3 | Boiling Point | 581.384ºC at 760 mmHg | |
| Molecular Formula | C14H12BNO4S | Melting Point | 144 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 305.41ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | [1-(benzenesulfonyl)indol-3-yl]boronic acid |
|---|---|
| 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 | 1.35g/cm3 |
|---|---|
| Boiling Point | 581.384ºC at 760 mmHg |
| Melting Point | 144 °C (dec.)(lit.) |
| Molecular Formula | C14H12BNO4S |
| Molecular Weight | 301.12500 |
| Flash Point | 305.41ºC |
| Exact Mass | 301.05800 |
| PSA | 87.91000 |
| LogP | 1.63890 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.633 |
| InChIKey | YKTZLHLBQGCFQX-UHFFFAOYSA-N |
| SMILES | O=S(=O)(c1ccccc1)n1cc(B(O)O)c2ccccc21 |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-Benzenesulfon... CAS#:129271-98-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3412 - 3415 |
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1-Benzenesulfon... CAS#:129271-98-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3412 - 3415 |
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1-Benzenesulfon... CAS#:129271-98-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3412 - 3415 |
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1-Benzenesulfon... CAS#:129271-98-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3412 - 3415 |
This 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.
| MFCD02681892 |
| (1-(Phenylsulfonyl)-1H-indol-3-yl)boronic acid |
| N-phenylsulfonyl-3-indoleboronic acid |
| 1-Benzenesulfonyl-1H-indole-3-boronic acid |
| [1-(Phenylsulfonyl)-3-indole]boronic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: Storage conditions for [1-(benzenesulfonyl)indol-3-yl]boronic acid: 2-8°C. |
| Q: What is the CAS number of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: CAS number of [1-(benzenesulfonyl)indol-3-yl]boronic acid is 129271-98-3. |
| Q: What is the LogP of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: LogP of [1-(benzenesulfonyl)indol-3-yl]boronic acid is 1.63890. |
| Q: What is the safety information for [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: Safety information for [1-(benzenesulfonyl)indol-3-yl]boronic acid: S24/25. |
| Q: What is the English name of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: The English name of [1-(benzenesulfonyl)indol-3-yl]boronic acid is [1-(benzenesulfonyl)indol-3-yl]boronic acid. |
| Q: What is the InChIKey of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: InChIKey of [1-(benzenesulfonyl)indol-3-yl]boronic acid is YKTZLHLBQGCFQX-UHFFFAOYSA-N. |
| Q: What English synonyms does [1-(benzenesulfonyl)indol-3-yl]boronic acid have? |
| A: English synonyms of [1-(benzenesulfonyl)indol-3-yl]boronic acid: MFCD02681892, (1-(Phenylsulfonyl)-1H-indol-3-yl)boronic acid, N-phenylsulfonyl-3-indoleboronic acid, 1-Benzenesulfonyl-1H-indole-3-boronic acid, [1-(Phenylsulfonyl)-3-indole]boronic acid. |
| Q: What is the boiling point of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: Boiling point of [1-(benzenesulfonyl)indol-3-yl]boronic acid is 581.384ºC at 760 mmHg. |
| Q: What is the SMILES notation of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: SMILES notation of [1-(benzenesulfonyl)indol-3-yl]boronic acid is O=S(=O)(c1ccccc1)n1cc(B(O)O)c2ccccc21. |
| Q: What is the polar surface area (PSA) of [1-(benzenesulfonyl)indol-3-yl]boronic acid? |
| A: Polar surface area (PSA) of [1-(benzenesulfonyl)indol-3-yl]boronic acid is 87.91000. |
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. |