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CAS No.: | 7454-76-4 |
---|---|
Name: | 4-BROMO-N-CYCLOHEXYLBENZENESULPHONAMIDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C12H16BrNO2S |
Molecular Weight: | 318.235 |
Synonyms: | Benzenesulfonamide,p-bromo-N-cyclohexyl- (7CI,8CI);4-Bromo-N-cyclohexylbenzenesulfonamide;[(4-bromophenyl)sulfonyl]cyclohexylamine; |
Density: | 1.5 g/cm3 |
Melting Point: | 102-104 |
Boiling Point: | 413.7 °C at 760 mmHg |
Flash Point: | 204 °C |
Hazard Symbols: | Xi |
PSA: | 54.55000 |
LogP: | 4.53180 |
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The Benzenesulfonamide,4-bromo-N-cyclohexyl-, with the CAS registry number 7454-76-4, has the systematic name of 4-bromo-N-cyclohexylbenzenesulfonamide. It belongs to the following product categories: Blocks; Bromides; Sulfonamides. And the molecular formula of the chemical is C12H16BrNO2S.
The characteristics of Benzenesulfonamide,4-bromo-N-cyclohexyl- are as followings: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.605; (8)Molar Refractivity: 72.66 cm3; (9)Molar Volume: 210.9 cm3; (10)Polarizability: 28.8×10-24cm3; (11)Surface Tension: 53.9 dyne/cm; (12)Density: 1.5 g/cm3; (13)Flash Point: 204 °C; (14)Enthalpy of Vaporization: 66.65 kJ/mol; (15)Boiling Point: 413.7 °C at 760 mmHg; (16)Vapour Pressure: 4.72E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(NC1CCCCC1)c2ccc(Br)cc2
(2)InChI: InChI=1/C12H16BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
(3)InChIKey: XATZMSCJHBJRTQ-UHFFFAOYAM