4-Toluenesulfonyl bromide supplier

Name
4-Toluenesulfonyl bromide
EINECS
CAS No. 1950-69-2
Article Data25
CAS DataBase
Density 1.631 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfonylbromide (7CI,8CI);4-Methylbenzenesulfonyl bromide;Tosyl bromide;p-Tolylsulfonyl bromide;p-Tosyl bromide;
PSA 42.52000
LogP 3.15940

4-Toluenesulfonyl bromide Specification

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

Product Name

4-Toluenesulfonyl bromide

4-Toluenesulfonyl bromide Specification

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