3,5-Dimethylpyridine-4-boronic acid pinacol ester supplier

Name
3,5-Dimethylpyridine-4-boronic acid pinacol ester
EINECS
CAS No. 1032358-02-3
Article Data2
CAS DataBase
Density 1.058 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₀BNO₂
Boiling Point 386.952 °C at 760 mmHg
Molecular Weight 233.118
Flash Point 187.822 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols
Synonyms (3,5-Dimethyl-4-pyridyl)-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid;
PSA 31.35000
LogP 1.99760

3,5-Dimethylpyridine-4-boronic acid pinacol ester Specification

The 3,5-Dimethylpyridine-4-boronic acid pinacol ester is an organic compound with the formula C₁₃H₂₀BNO₂. The systematic name of this chemical is (3,5-Dimethyl-4-pyridyl)-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid. The CAS registry number of this chemical is 1032358-02-3. Besides, its molecular weight is 251.13.

The physical properties of 3,5-Dimethylpyridine-4-boronic acid pinacol ester are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.077; (3)ACD/LogD (pH 7.4): 1.066; (4)ACD/BCF (pH 5.5): 20.387; (5)ACD/BCF (pH 7.4): 1.987; (6)ACD/KOC (pH 5.5): 270.785; (7)ACD/KOC (pH 7.4): 26.387; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 62.58 Å²; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 69.873 cm³; (14)Molar Volume: 237.458 cm³; (15)Polarizability: 27.7×10^-24 cm³; (16)Surface Tension: 39.988 dyne/cm; (17)Density: 1.058 g/cm³; (18)Flash Point: 187.822 °C; (19)Enthalpy of Vaporization: 67.078 kJ/mol; (20)Boiling Point: 386.952 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(cncc1C)C)(O)OC(C)(C)C(C)(C)O
(2)InChI: InChI=1/C13H22BNO3/c1-9-7-15-8-10(2)11(9)14(17)18-13(5,6)12(3,4)16/h7-8,16-17H,1-6H3
(3)InChIKey: HTVAZMBUQUVJLK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H22BNO3/c1-9-7-15-8-10(2)11(9)14(17)18-13(5,6)12(3,4)16/h7-8,16-17H,1-6H3
(5)Std. InChIKey: HTVAZMBUQUVJLK-UHFFFAOYSA-N

Product Name

3,5-Dimethylpyridine-4-boronic acid pinacol ester

3,5-Dimethylpyridine-4-boronic acid pinacol ester Specification

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