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Name |
N-benzyl-3-bromobenzenesulfonamide |
EINECS | N/A |
CAS No. | 625470-36-2 | Density | 1.503 g/cm3 |
PSA | 54.55000 | LogP | 4.39930 |
Solubility | N/A | Melting Point |
78-82 °C |
Formula | C13H12BrNO2S | Boiling Point | 457.9 °C at 760 mmHg |
Molecular Weight | 326.214 | Flash Point | 230.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
N-Benzyl-3-bromobenzenesulfonamide; |
Article Data | 4 |
This chemical is called N-benzyl-3-bromobenzenesulfonamide, and its CAS registry number is 625470-36-2. With the molecular formula of C13H12BrNO2S, its molecular weight is 326.21. Additionally, its product categories are Blocks; Bromides; Sulfonamides.
Other characteristics of the N-benzyl-3-bromobenzenesulfonamide can be summarised as followings: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.62; (8)Molar Refractivity: 76.28 cm3; (9)Molar Volume: 216.9 cm3; (10)Polarizability: 30.24×10-24cm3; (11)Surface Tension: 49.8 dyne/cm; (12)Density: 1.503 g/cm3; (13)Flash Point: 230.7 °C; (14)Enthalpy of Vaporization: 71.81 kJ/mol; (15)Boiling Point: 457.9 °C at 760 mmHg; (16)Vapour Pressure: 1.44E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1cc(Br)ccc1)NCc2ccccc2
2.InChI: InChI=1/C13H12BrNO2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
3.InChIKey: HTAWYJSLZQALKS-UHFFFAOYAX