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| CAS No.: | 89599-01-9 |
|---|---|
| Name: | 3-BROMOBENZENESULFONAMIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H6BrNO2S |
| Molecular Weight: | 236.089 |
| Synonyms: | Benzenesulfonamide,m-bromo- (7CI);3-Bromobenzene-1-sulfonamide;3-Bromobenzenesulfonamide;3-Sulfamoyl-1-bromobenzene; |
| EINECS: | 200-258-5 |
| Density: | 1.754 g/cm3 |
| Melting Point: | 151-156 °C(lit.) |
| Boiling Point: | 375.8 °C at 760 mmHg |
| Flash Point: | 181.1 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 68.54000 |
| LogP: | 2.87760 |
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Specification
The 3-Bromobenzenesulfonamide, with CAS registry number 89599-01-9, belongs to the following product categories: (1)blocks; (2)Bromides; (3)Sulfonamides; (4)Aryl; (5)Organohalides; (6)Organic Building Blocks; (7)Sulfonamides/Sulfinamides; (8)Sulfur Compounds. Its systematic name and its IUPAC name are the same, which is 3-bromobenzenesulfonamide. This chemical is a kind of white powder. And it should be stored in cool, dry place.
Physical properties of 3-Bromobenzenesulfonamide: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.23; (6)ACD/BCF (pH 7.4): 6.2; (7)ACD/KOC (pH 5.5): 128.85; (8)ACD/KOC (pH 7.4): 128.37; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 46.91 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 18.59×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Enthalpy of Vaporization: 62.34 kJ/mol; (19)Vapour Pressure: 7.57E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1)N
(2)InChI: InChI=1/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(3)InChIKey: MUBJNMWVQGHHLG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(5)Std. InChIKey: MUBJNMWVQGHHLG-UHFFFAOYSA-N