2-Benzyloxypyridine-3-boronic acid supplier

Name
2-BENZYLOXYPYRIDIN-3-YLBORONIC ACID
EINECS
CAS No. 1072952-41-0
Article Data4
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 145-147 °C
Formula C₁₂H₁₂BNO₃
Boiling Point 433.4 °C at 760 mmHg
Molecular Weight 229.043
Flash Point 215.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Benzyloxypyridin-3-ylboronic acid;(2-Benzyloxy-3-pyridyl)boronic acid;2-(Benzyloxy)pyridine-3-boronic acid;
PSA 62.58000
LogP 0.34040

2-Benzyloxypyridine-3-boronic acid Specification

The 2-Benzyloxypyridine-3-boronic acid, with the CAS registry number 1072952-41-0, is also known as 2-Benzyloxypyridin-3-ylboronic acid. This chemical's molecular formula is C₁₂H₁₂BNO₃ and molecular weight is 229.04. What's more, its systematic name is (2-benzyloxy-3-pyridyl)boronic acid.

Physical properties of 2-Benzyloxypyridine-3-boronic acid are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 1.03; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 62.58 Å²; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 62.16 cm³; (11)Molar Volume: 182.6 cm³; (12)Polarizability: 24.64×10^-24cm³; (13)Surface Tension: 56 dyne/cm; (14)Density: 1.25 g/cm³; (15)Flash Point: 215.9 °C; (16)Enthalpy of Vaporization: 72.67 kJ/mol; (17)Boiling Point: 433.4 °C at 760 mmHg; (18)Vapour Pressure: 2.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cccnc2OCc1ccccc1
(2)InChI: InChI=1S/C12H12BNO3/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8,15-16H,9H2
(3)InChIKey: YTIGWZQYGHOXOB-UHFFFAOYSA-N

Product Name

2-BENZYLOXYPYRIDIN-3-YLBORONIC ACID

2-Benzyloxypyridine-3-boronic acid Specification

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