Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Toluenesulfonyl bromide |
EINECS | N/A |
CAS No. | 1950-69-2 | Density | 1.631 g/cm3 |
PSA | 42.52000 | LogP | 3.15940 |
Solubility | N/A | Melting Point |
92-95 ºC |
Formula | C7H7BrO2S | Boiling Point | 311.533 °C at 760 mmHg |
Molecular Weight | 235.101 | Flash Point | 142.21 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
p-Toluenesulfonylbromide (7CI,8CI);4-Methylbenzenesulfonyl bromide;Tosyl bromide;p-Tolylsulfonyl bromide;p-Tosyl bromide; |
Article Data | 25 |
The cas register number of 4-Toluenesulfonyl bromide is 1950-69-2. It also can be called as benzenesulfonyl bromide, 4-methyl- and the Systematic name about this chemical is 4-methylbenzenesulfonyl bromide.
Physical properties about 4-Toluenesulfonyl bromide are: (1)ACD/LogP: 2.33 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3 ; (4)ACD/LogD (pH 7.4): 3 ; (5)ACD/BCF (pH 5.5): 57; (6)ACD/BCF (pH 7.4): 57; (7)ACD/KOC (pH 5.5): 628; (8)ACD/KOC (pH 7.4): 628; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 47.918 cm3; (15)Molar Volume: 144.161 cm3; (16)Surface Tension: 45.487 dyne/cm; (17)Density: 1.631 g/cm3; (18)Flash Point: 142.21 °C; (19)Enthalpy of Vaporization: 53.043 kJ/mol; (20)Boiling Point: 311.533 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=S(Br)(=O)c1ccc(cc1)C
2.InChI: InChI=1/C7H7BrO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
3.InChIKey: NTSFJZORNYYLFW-UHFFFAOYAK
4.Std. InChI: InChI=1S/C7H7BrO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3