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1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(methylsulfonyl)phenyl]- (603143-27-7)

Identification
Name:1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(methylsulfonyl)phenyl]-
Synonyms:2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:603143-27-7
Molecular Formula: C13H19BO4S
Molecular Weight: 282.16
InChI: InChI=1/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6-9H,1-5H3
Molecular Structure: (C13H19BO4S) 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Properties
Density:1.17g/cm3
Refractive index:1.517
Specification:

The cas register number of 4-(Methanesulfonyl)phenylboronic acid pinacol ester is 603143-27-7. It also can be called as 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(methylsulfonyl)phenyl]- and the Systematic name about this chemical is 4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane.

Physical properties about 4-(Methanesulfonyl)phenylboronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 60.98Å2; (5)Index of Refraction: 1.517; (6)Molar Refractivity: 72.9 cm3; (7)Molar Volume: 240.6 cm3; (8)Surface Tension: 38.5 dyne/cm; (9)Density: 1.17 g/cm3; (10)Flash Point: 208.5 °C; (11)Enthalpy of Vaporization: 64.89 kJ/mol; (12)Boiling Point: 421.1 °C at 760 mmHg; (13)Vapour Pressure: 6.53E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=S(=O)(c2ccc(B1OC(C)(C)C(O1)(C)C)cc2)C
2.InChI:InChI=1/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6-9H,1-5H3
3.InChIKey:BDOSWBBKOSGKAV-UHFFFAOYAU
4.Std. InChI:InChI=1S/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6-9H,1-5H3

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