4-Bromobenzenesulfonamide CAS 701-34-8

Introduction：Basic information about 4-Bromobenzenesulfonamide CAS 701-34-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

4-Bromobenzenesulfonamide Basic information

• Product Name: 4-Bromobenzenesulfonamide
• Synonyms: Bromo Benzene Sulphonamide;4-Bromobenzenesulfonamide, 97+%;AKOS 206-12;Benzenesulfonamide, 4-bromo-;Benzenesulfonamide, p-bromo-;p-bromo-benzenesulfonamid;4-BroMobenzenesulfonaMide >=99.0% (T);P-BROMOBENZENESULFONAMIDE
• CAS: 701-34-8
• MF: C6H6BrNO2S
• MW: 236.09
• EINECS: 629-330-9
• Product Categories: blocks;Bromides;Sulfonamides;Aryl;Halogenated;Organohalides
• Mol File: 701-34-8.mol

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)
• pka: 9.89±0.10(Predicted)
• form: Solid
• 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 Information

• 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

98-58-8

701-34-8

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

• Raw materials: Sodium carbonate-->Ammonium hydroxide-->Carbon tetrachloride-->Chlorosulfonic acid-->Bromobenzene-->Ammonium carbonate-->4-Bromobenzenesulfonyl chloride-->Methanol-->Ammonia
• Preparation Products: 4-Ethylbenzenesulfonamide-->4-(Aminosulfonyl)phenylboronic acid-->N-benzhydryl-4-bromobenzenesulfonamide