Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]- supplier

Name
5-(METHYLSULFONYL)-3-PYRIDINEBORONIC ACID
EINECS
CAS No. 913836-01-8
Density 1.47 g/cm³
Solubility
Melting Point 123-125°C
Formula C₆H₈BNO₄S
Boiling Point 523.8 °C at 760 mmHg
Molecular Weight 201.011
Flash Point 270.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [5-(methylsulfonyl)-3-pyridinyl]- (9CI);5-(Methylsulfonyl)pyridin-3-ylboronic acid;
PSA 95.87000
LogP -0.75430

Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]- Specification

The Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]-, with CAS registry number 913836-01-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Pyridines. It has the systematic name of (5-methylsulfonyl-3-pyridyl)boronic acid. And the chemical formula of this chemical is C₆H₈BNO₄S.

Physical properties of Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 95.87 Å²; (6)Index of Refraction: 1.568; (7)Molar Refractivity: 44.53 cm³; (8)Molar Volume: 136 cm³; (9)Polarizability: 17.65×10^-24cm³; (10)Surface Tension: 64.2 dyne/cm; (11)Enthalpy of Vaporization: 83.96 kJ/mol; (12)Vapour Pressure: 8.43E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)S(=O)(=O)C)(O)O
(2)InChI: InChI=1/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(3)InChIKey: YGXNPQDXWDCWET-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(5)Std. InChIKey: YGXNPQDXWDCWET-UHFFFAOYSA-N

Product Name

5-(METHYLSULFONYL)-3-PYRIDINEBORONIC ACID

Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]- Specification

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