5-Acetylpyridine-3-boronic acid pinacol ester supplier

Name
5-Acetylpyridine-3-boronic acid pinacol ester
EINECS
CAS No. 1103862-13-0
Article Data2
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₀BNO₄
Boiling Point 428.834 °C at 760 mmHg
Molecular Weight 265.11
Flash Point 213.151 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Acetyl-3-pyridyl)-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid;
PSA 48.42000
LogP 1.58340

5-Acetylpyridine-3-boronic acid pinacol ester Specification

The 5-Acetylpyridine-3-boronic acid pinacol ester has CAS registry number 1103862-13-0. This chemical's molecular formula is C₁₃H₂₀BNO₄ and molecular weight is 265.11. What's more, its systematic name is (5-Acetyl-3-pyridyl)-(2-hydroxy-1, 1, 2-trimethyl-propoxy)borinic acid.

Physical properties about 5-Acetylpyridine-3-boronic acid pinacol ester are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.612; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.628; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.236; (8)ACD/KOC (pH 7.4): 2.745; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 79.65 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 69.997 cm³; (15)Molar Volume: 234.892 cm³; (16)Polarizability: 27.749×10^-24 cm³; (17)Surface Tension: 43.748 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 213.151 °C; (20)Enthalpy of Vaporization: 72.106 kJ/mol; (21)Boiling Point: 428.834 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(cnc1)C(=O)C)(O)OC(C)(C)C(C)(C)O
(2) InChI: InChI=1/C13H20BNO4/c1-9(16)10-6-11(8-15-7-10)14(18)19-13(4,5)12(2,3)17/h6-8,17-18H,1-5H3
(3) InChIKey: KFKPTGDFNJSKRW-UHFFFAOYAD

Product Name

5-Acetylpyridine-3-boronic acid pinacol ester

5-Acetylpyridine-3-boronic acid pinacol ester Specification

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