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6-Cyclopropylpyridine-3-boronic acid pinacol ester

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Name

6-Cyclopropylpyridine-3-boronic acid pinacol ester

EINECS N/A
CAS No. 893567-09-4 Density 1.073 g/cm3
PSA 31.35000 LogP 2.25820
Solubility N/A Melting Point N/A
Formula C14H22BNO3 Boiling Point 354.102 °C at 760 mmHg
Molecular Weight 245.129 Flash Point 167.955 °C
Transport Information N/A Appearance N/A
Safety 26-37-60 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 893567-09-4 (6-CYCLOPROPYL-3-PYRIDINYL BORONIC ACID PINACOL ESTER) Hazard Symbols Xi
Synonyms

2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;

Article Data 3

6-Cyclopropylpyridine-3-boronic acid pinacol ester Specification

The CAS registry number of 6-Cyclopropylpyridine-3-boronic acid pinacol ester is 893567-09-4. The IUPAC name of this chemical is 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. In addition, the formula is C14H22BNO3 and the molecular weight is 245.1251.

Physical properties about 6-Cyclopropylpyridine-3-boronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 31.35 Å2; (5)Index of Refraction: 1.517; (6)Molar Refractivity: 69.078 cm3; (7)Molar Volume: 228.51 cm3; (8)Polarizability: 27.385 ×10-24cm3; (9)Surface Tension: 37.193 dyne/cm; (10)Density: 1.073 g/cm3; (11)Flash Point: 167.955 °C; (12)Enthalpy of Vaporization: 57.547 kJ/mol; (13)Boiling Point: 354.102 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)C3CC3
(2)InChI: InChI=1/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10/h7-10H,5-6H2,1-4H3
(3)InChIKey: XJHHJKRQUDXIKL-UHFFFAOYAC

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