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6-(Methylsulfonyl)pyridine-3-boronic acid

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Name

6-(Methylsulfonyl)pyridine-3-boronic acid

EINECS N/A
CAS No. 1088496-41-6 Density 1.477 g/cm3
PSA 95.87000 LogP -0.75430
Solubility N/A Melting Point N/A
Formula C6H8BNO4S Boiling Point 487.373 °C at 760 mmHg
Molecular Weight 201.011 Flash Point 248.555 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1088496-41-6 (6-(Methylsulfonyl)pyridine-3-boronic acid) Hazard Symbols N/A
Synonyms

2-(Methylsulfonyl)pyridine-5-boronic acid;

 

6-(Methylsulfonyl)pyridine-3-boronic acid Specification

The CAS registry number of 6-(Methylsulfonyl)pyridine-3-boronic acid is 1088496-41-6. This chemical is also known as 2-(Methylsulfonyl)pyridine-5-boronic acid. The molecular formula of it is C6H8BNO4S and molecular weight is 201.00802. Its systematic name is called (6-methylsulfonyl-3-pyridyl)boronic acid.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.94; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.568; (9)Molar Refractivity: 44.531 cm3; (10)Molar Volume: 136.057 cm3; (11)Surface Tension: 64.258 dyne/cm; (12)Density: 1.477 g/cm3; (13)Flash Point: 248.555 °C; (14)Enthalpy of Vaporization: 79.339 kJ/mol; (15)Boiling Point: 487.373 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)S(=O)(=O)C)(O)O
(2)InChI: InChI=1/C6H8BNO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
(3)InChIKey: OBWIRUCBMIYFBP-UHFFFAOYAV

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