701-34-8
4-Bromo-benzenesulfonamide
CAS: 701-34-8
Molecular Formula: C6H6BrNO2S
701-34-8 - Names and Identifiers
| Name | 4-Bromo-benzenesulfonamide |
| Synonyms | AKOS 206-12 p-bromo-benzenesulfonamid P-BROMOBENZENESULFONAMIDE p-Bromobenzenesulfonamide 4-Bromobenzenesulfonamide Bromo Benzene Sulphonamide 4-Bromo-benzenesulfonamide Benzenesulfonamide, p-bromo- Benzenesulfonamide, 4-bromo- |
| CAS | 701-34-8 |
| EINECS | 629-330-9 |
| InChI | InChI=1/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) |
| InChIKey | STYQHICBPYRHQK-UHFFFAOYSA-N |
701-34-8 - Physico-chemical Properties
| Molecular Formula | C6H6BrNO2S |
| Molar Mass | 236.09 |
| Density | 1.8000 (estimate) |
| Melting Point | 163-167°C |
| Boling Point | 360.7°C (rough estimate) |
| Flash Point | 181.1°C |
| Water Solubility | 991.6mg/L(15 ºC) |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 7.57E-06mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| BRN | 2691657 |
| pKa | 9.89±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.6140 (estimate) |
| MDL | MFCD00051977 |
701-34-8 - Risk and Safety
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | DB0550000 |
| Hazard Class | IRRITANT |
701-34-8 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Introduction | 4-bromobenzenesulfonamide can be used as an intermediate in pharmaceutical synthesis and an intermediate, it can be used in the laboratory research and development process and chemical medicine research and development process, and can be mainly prepared by the reaction of 4-bromophenylsulfonyl chloride with ammonia, and can also be prepared by one-step preparation of boron tetrafluoride diazonium salt of bromobenzene. |
| preparation | p-bromobenzene boron tetrafluoride diazonium salt (338.5mg,1.25mmol), naN3 (32.5mg,0.5mmol),PPh3(157.4mg,0.6mmol),Na2S2O5(190.1mg,1.0mmol),TBAB(241.7mg,0.75mmol) and MeCN/H2O = 2/1(1ml) was added to the Schlenk reaction tube. The reaction was stirred at 80 ° C. For 12h, then cooled to room temperature, diluted with 10ml of water, extracted with ethyl acetate (10ml * 3), dried over anhydrous sodium sulfate, filtered and concentrated, separation by column chromatography gave 4-bromophenylsulfonamide (70%) as a white solid. |
Last Update：2024-04-10 22:29:15
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