| Identification | More | [Name]
4-Bromobenzenesulfonamide | [CAS]
701-34-8 | [Synonyms]
4-BROMOBENZENESULFONAMIDE
4-BROMOBENZENESULPHONAMIDE
AKOS 206-12
P-BROMOBENZENESULFONAMIDE
Benzenesulfonamide, 4-bromo-
Benzenesulfonamide, p-bromo-
p-bromo-benzenesulfonamid
4-Bromobenzenesulphonamide 98%
4-BROMOBENZENESULFONAMIDE, 98 % | [EINECS(EC#)]
629-330-9 | [Molecular Formula]
C6H6BrNO2S | [MDL Number]
MFCD00051977 | [Molecular Weight]
236.09 | [MOL File]
701-34-8.mol |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
DB0550000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2935909099 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [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 |
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