| Identification | More | [Name]
3-BROMOBENZENESULFONAMIDE | [CAS]
89599-01-9 | [Synonyms]
3-BROMOBENZENE-1-SULFONAMIDE
3-BROMOBENZENESULFONAMIDE
3-BROMO-BENZENESULFONIC ACID AMIDE
3-BROMOBENZENESULPHONAMIDE
BUTTPARK 95\57-08
3-Bromobenzenesulfonamide,97%
m-bromobenzenesulfonamide
3-Bromobenzene-1-Sulphonamide | [EINECS(EC#)]
200-258-5 | [Molecular Formula]
C6H6BrNO2S | [MDL Number]
MFCD00084903 | [Molecular Weight]
236.09 | [MOL File]
89599-01-9.mol |
| Chemical Properties | Back Directory | [Appearance]
white powder | [Melting point ]
151-156 °C(lit.) | [Boiling point ]
375.8±44.0 °C(Predicted) | [density ]
1.754±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
9.81±0.60(Predicted) | [color ]
White to Light yellow | [InChI]
1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) | [InChIKey]
MUBJNMWVQGHHLG-UHFFFAOYSA-N | [SMILES]
NS(=O)(=O)c1cccc(Br)c1 | [CAS DataBase Reference]
89599-01-9(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
3-Bromobenzenesulfonamide is an amine derivative that can be used as a pharmaceutical intermediate. | [Application]
3-Bromobenzenesulfonamide can be used as a pharmaceutical synthesis intermediate. It can be prepared by reacting 3-bromobenzenesulfonyl chloride with ammonia, or by preparing it in one step from the diazonium salt of m-bromobenzene tetrafluoride. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29350090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white powder | [Synthesis]
Under ice bath conditions, 3-bromobenzenesulfonyl chloride (4.073 g, 15.94 mmol) was dissolved in dichloromethane (67 mL) and 25% ammonia solution (3.7 mL, 57.15 mmol) was slowly added. The reaction mixture was stirred at ice bath temperature for 0.5 hr, then brought to room temperature and continued stirring for 6 hr. Upon completion of the reaction, the precipitated solid was collected by filtration, washed with water and dried under vacuum in the presence of phosphorus pentoxide to afford 3-bromobenzenesulfonamide (3.270 g, 87% yield) in white crystalline form. NMR hydrogen spectrum (DMSO-d6) δ: 7.97 (t, J = 1.9 Hz, 1H), 7.84-7.80 (m, 2H), 7.54 (t, J = 7.9 Hz, 1H), 7.50 (bs, 2H). Liquid chromatography-mass spectrometry (ESI) m/z: 235.98 [M-H]-. | [References]
[1] Patent: WO2016/129983, 2016, A1. Location in patent: Page/Page column 18; 19
[2] Justus Liebigs Annalen der Chemie, 1875, vol. 177, p. 82
[3] ACS Medicinal Chemistry Letters, 2011, vol. 2, # 8, p. 603 - 607
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 9, p. 2222 - 2225 |
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