3-Bromo-1-(phenylsulfonyl)indole
3-Bromo-1-(phenylsulfonyl)indole structure
|
Common Name | 3-Bromo-1-(phenylsulfonyl)indole | ||
|---|---|---|---|---|
| CAS Number | 99655-68-2 | Molecular Weight | 336.204 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 498.0±37.0 °C at 760 mmHg | |
| Molecular Formula | C14H10BrNO2S | Melting Point | 122-126 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 255.0±26.5 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Bromo-1-(phenylsulfonyl)indole |
|---|---|
| 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 498.0±37.0 °C at 760 mmHg |
| Melting Point | 122-126 °C(lit.) |
| Molecular Formula | C14H10BrNO2S |
| Molecular Weight | 336.204 |
| Flash Point | 255.0±26.5 °C |
| Exact Mass | 334.961548 |
| PSA | 47.45000 |
| LogP | 4.48 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.669 |
| InChIKey | MXPFKHHDXIJNDX-UHFFFAOYSA-N |
| SMILES | O=S(=O)(c1ccccc1)n1cc(Br)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.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn |
| Risk Phrases | R22 |
| Safety Phrases | S26-S36/37/39 |
| 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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3-Bromo-1-(phen... CAS#:99655-68-2 |
| Literature: Davis, Deborah A.; Gribble, Gordon W. Heterocycles, 1992 , vol. 34, # 8 p. 1613 - 1621 |
|
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3-Bromo-1-(phen... CAS#:99655-68-2 |
| Literature: Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3412 - 3415 |
|
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3-Bromo-1-(phen... CAS#:99655-68-2 |
| Literature: Tetrahedron, , vol. 62, # 14 p. 3242 - 3247 |
|
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3-Bromo-1-(phen... CAS#:99655-68-2 |
| Literature: Journal of Organic Chemistry, , vol. 51, # 12 p. 2343 - 2351 |
|
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3-Bromo-1-(phen... CAS#:99655-68-2 |
| Literature: Heterocycles, , vol. 34, # 11 p. 2095 - 2108 |
|
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3-Bromo-1-(phen... CAS#:99655-68-2 |
| Literature: Heterocycles, , vol. 34, # 11 p. 2095 - 2108 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
CAS#:102210-79-7
CAS#:3469-20-3![1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one structure](https://image.chemsrc.com/caspic/025/102210-76-4.png)
CAS#:102210-76-4![1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-2-en-1-one structure](https://image.chemsrc.com/caspic/046/102210-80-0.png)
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CAS#:1504-16-1This 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-Bromo-1-(phenylsulfonyl)-1H-indole |
| T56 BNJ BSWR& DE |
| 1-(benzenesulfonyl)-3-bromoindole |
| 1-(Benzenesulphonyl)-3-bromo-1H-indole |
| 3-Bromo-1-(phenylsulfonyl)indole |
| MFCD02681986 |
| 1-Benzenesulfonyl-3-bromo-1H-indole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: Polar surface area (PSA) of 3-Bromo-1-(phenylsulfonyl)indole is 47.45000. |
| Q: What is the LogP of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: LogP of 3-Bromo-1-(phenylsulfonyl)indole is 4.48. |
| Q: What is the molecular weight of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: Molecular weight of 3-Bromo-1-(phenylsulfonyl)indole is 336.204. |
| Q: What is the safety information for 3-Bromo-1-(phenylsulfonyl)indole? |
| A: Safety information for 3-Bromo-1-(phenylsulfonyl)indole: S26-S36/37/39. |
| Q: What is the molecular formula of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: Molecular formula of 3-Bromo-1-(phenylsulfonyl)indole is C14H10BrNO2S. |
| Q: What are the upstream materials of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: Related upstream materials(CAS) of 3-Bromo-1-(phenylsulfonyl)indole: 40899-71-6;98-09-9;120-72-9;1484-27-1. |
| Q: What is the SMILES notation of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: SMILES notation of 3-Bromo-1-(phenylsulfonyl)indole is O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21. |
| Q: What is the English name of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: The English name of 3-Bromo-1-(phenylsulfonyl)indole is 3-Bromo-1-(phenylsulfonyl)indole. |
| Q: What English synonyms does 3-Bromo-1-(phenylsulfonyl)indole have? |
| A: English synonyms of 3-Bromo-1-(phenylsulfonyl)indole: 3-Bromo-1-(phenylsulfonyl)-1H-indole, T56 BNJ BSWR& DE, 1-(benzenesulfonyl)-3-bromoindole, 1-(Benzenesulphonyl)-3-bromo-1H-indole, 3-Bromo-1-(phenylsulfonyl)indole, MFCD02681986, 1-Benzenesulfonyl-3-bromo-1H-indole. |
| Q: What is the InChIKey of 3-Bromo-1-(phenylsulfonyl)indole? |
| A: InChIKey of 3-Bromo-1-(phenylsulfonyl)indole is MXPFKHHDXIJNDX-UHFFFAOYSA-N. |
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. |