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CAS No.: | 7467-11-0 |
---|---|
Name: | 2,5-DIBROMO-BENZENESULFONAMIDE |
Molecular Structure: | |
Formula: | C6H5Br2NO2S |
Molecular Weight: | 314.985 |
Synonyms: | 2,5-Dibromobenzenesulfonamide; 2,5-Dibromo-benzenesulfonamide; Benzenesulfonamide, 2,5-dibromo- |
Density: | 2.089 g/cm3 |
Melting Point: | 204-206℃ |
Boiling Point: | 424.1 °C at 760 mmHg |
Flash Point: | 210.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 3/7-22-26-36/37/39-45-51 |
PSA: | 68.54000 |
LogP: | 3.64010 |
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The CAS registry number of Benzenesulfonamide,2,5-dibromo- is 7467-11-0. This chemical is also named as NSC 400646. In addition, its molecular formula is C6H5Br2NO2S and molecular weight is 314.9824. Its systematic name and IUPAC name are the same which is called 2,5-dibromobenzenesulfonamide.
Physical properties about Benzenesulfonamide,2,5-dibromo- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.51; (6)ACD/BCF (pH 7.4): 16.35; (7)ACD/KOC (pH 5.5): 258.98; (8)ACD/KOC (pH 7.4): 256.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 54.63 cm3; (14)Molar Volume: 150.7 cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 2.089 g/cm3; (17)Flash Point: 210.3 °C; (18)Enthalpy of Vaporization: 67.85 kJ/mol; (19)Boiling Point: 424.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1Br)N
(2)InChI: InChI=1/C6H5Br2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
(3)InChIKey: INERZUPHFUUUPD-UHFFFAOYAT