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| | 4-Bromobenzenesulfonamide Basic information |
| | 4-Bromobenzenesulfonamide Chemical Properties |
| Melting point | 163-167 °C | | Boiling point | 360.7°C (rough estimate) | | density | 1.8000 (estimate) | | refractive index | 1.6140 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 9.89±0.10(Predicted) | | color | White to Off-White | | Water Solubility | 991.6mg/L(15 ºC) | | BRN | 2691657 | | InChI | 1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10) | | InChIKey | STYQHICBPYRHQK-UHFFFAOYSA-N | | SMILES | NS(=O)(=O)c1ccc(Br)cc1 | | CAS DataBase Reference | 701-34-8(CAS DataBase Reference) | | NIST Chemistry Reference | 4-Bromobenzenesulfonamide(701-34-8) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22 | | Safety Statements | 22-24/25 | | WGK Germany | 3 | | RTECS | DB0550000 | | HazardClass | IRRITANT | | HS Code | 2935909099 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 4-Bromobenzenesulfonamide Usage And Synthesis |
| Uses | 4-Bromobenzenesulfonamide was used as reagent in preparation of cobalt(III) complexes of N,R-sulfonyldithiocarbimate anion. It was also used in the synthesis of 2-, 3- and 4-(substituted-phenylethynyl)benzenesulfonamides. | | General Description | 4-Bromobenzenesulfonamide is a metabolite of ebrotidine, a new H2-receptor antagonist. | | Synthesis | Preparation of 4-bromobenzenesulfonamide: 4-bromobenzenesulfonyl chloride (1.0 g, 3.9 mmol) was dissolved in methanol (5 mL), methanol/ammonia solution (5 mL, excess) was added, and the mixture was mixed in a 25 mL single-neck flask. The reaction mixture was stirred overnight at room temperature under nitrogen protection. On the next day, the reaction solution was concentrated under reduced pressure to give p-bromobenzenesulfonamide (1.13 g, 100% yield) as a white solid. The product was confirmed by ion spray mass spectrometry (m/z 235.9 [M*]) and could be used for subsequent reactions without further purification. | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 14, p. 3880 - 3885
[2] Patent: US2004/63680, 2004, A1
[3] Patent: US7034045, 2006, B1. Location in patent: Page/Page column 83
[4] Journal of Medicinal Chemistry, 2018, vol. 61, # 11, p. 4860 - 4882
[5] RSC Advances, 2014, vol. 4, # 24, p. 12119 - 12126 |
| | 4-Bromobenzenesulfonamide Preparation Products And Raw materials |
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