-
Name
4-(Methanesulfonyl)phenylboronic acid pinacol ester
- EINECS
- CAS No. 603143-27-7
- Article Data10
- CAS DataBase
- Density 1.17g/cm3
- Solubility
- Melting Point 162-163°C
- Formula C13H19BO4S
- Boiling Point 421.1 °C at 760 mmHg
- Molecular Weight 282.168
- Flash Point 208.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-(4-METHYLSULFONYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;2-(4-METHANESULFONYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;4-(METHANESULFONYL)PHENYLBORONIC ACID, PINACOL ESTER;4-Methylsulfonylphenylboronic acid,pinacol ester;4,4,5,5-tetraMethyl-2-(4-(Methylsulfonyl)phenyl)-1,3,2-dioxaborolane
- PSA 60.98000
- LogP 2.47010
4-(Methanesulfonyl)phenylboronic acid pinacol ester 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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