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| CAS No.: | 214209-98-0 |
|---|---|
| Name: | Benzenesulfonamide,4-bromo-2,5-difluoro- |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H4BrF2NO2S |
| Molecular Weight: | 272.07 |
| Synonyms: | 4-Bromo-2,5-difluorobenzenesulfonamide; |
| Density: | 1.902 g/cm3 |
| Melting Point: | 167-169°C |
| Boiling Point: | 354.7 °C at 760 mmHg |
| Flash Point: | 168.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 68.54000 |
| LogP: | 3.15580 |
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- Total:24 Page 1 of 1 1
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Specification
The CAS registry number of Benzenesulfonamide,4-bromo-2,5-difluoro- is 214209-98-0. This chemical is also named as 4-Bromo-2,5-difluorobenzenesulphonamide 97%. In addition, its molecular formula is C6H4BrF2NO2S and molecular weight is 272.07. Its systematic name and IUPAC name are the same which is called 4-bromo-2,5-difluorobenzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonamide,4-bromo-2,5-difluoro- are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.82; (6)ACD/BCF (pH 7.4): 13.64; (7)ACD/KOC (pH 5.5): 227.98; (8)ACD/KOC (pH 7.4): 225.14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 47.13 cm3; (14)Molar Volume: 142.9 cm3; (15)Surface Tension: 49.2 dyne/cm; (16)Density: 1.902 g/cm3; (17)Flash Point: 168.3 °C; (18)Enthalpy of Vaporization: 59.97 kJ/mol; (19)Boiling Point: 354.7 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(c(F)cc1Br)S(=O)(=O)N
(2)InChI: InChI=1/C6H4BrF2NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H2,10,11,12)
(3)InChIKey: MINSVLXUGHJBPH-UHFFFAOYAY