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| CAS No.: | 263349-73-1 |
|---|---|
| Name: | 4-Bromo-3-fluorobenzenesulfonamide |
| Article Data: | 3 |
| Molecular Structure: | |
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|
|
| Formula: | C6H5BrFNO2S |
| Molecular Weight: | 254.08 |
| Synonyms: | 4-Bromo-3-fluorobenzenesulfonamide; |
| EINECS: | -0 |
| Density: | 1.83 g/cm3 |
| Melting Point: | 137-141 °C |
| Boiling Point: | 360.1 °C at 760mmHg |
| Flash Point: | 171.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| Safety: | 22-36/37 |
| PSA: | 68.54000 |
| LogP: | 3.01670 |
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Specification
The IUPAC name of this chemical is 4-bromo-3-fluorobenzenesulfonamide. With the CAS registry number 263349-73-1, it is also named as Benzenesulfonamide, 4-bromo-3-fluoro-. The product's categories are Fluorobenzene; Organic Building Blocks; Sulfonamides / Sulfinamides; Sulfur Compounds. It must be kept away oxidant, reducing agent, heat, flame and moisture. Additionally, this chemical should be sealed in the container and stored in the cool, ventilate and dry place.
The other characteristics of 4-Bromo-3-fluorobenzenesulfonamide can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.41; (6)ACD/BCF (pH 7.4): 11.35; (7)ACD/KOC (pH 5.5): 198.77; (8)ACD/KOC (pH 7.4): 197.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 47.02 cm3; (14)Molar Volume: 138.7 cm3; (15)Polarizability: 18.64×10-24 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Enthalpy of Vaporization: 60.57 kJ/mol; (18)Vapour Pressure: 2.28E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 252.92084; (21)MonoIsotopic Mass: 252.92084; (22)Topological Polar Surface Area: 68.5; (23)Heavy Atom Count: 12; (24)Complexity: 251.
When you are using this chemical, please be cautious about it as the following:
The 4-Bromo-3-fluorobenzenesulfonamide is harmful if swallowed, so people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1cc(ccc1Br)S(=O)(=O)N
2. InChI:InChI=1/C6H5BrFNO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
3. InChIKey:QTICZSSQSQDJEX-UHFFFAOYAU