(3,5-Diphenylphenyl)boronic acid CAS NO.128388-54-5

1.Introduction of 128388-54-5

(3,5-Diphenylphenyl)boronic acid has synonyms as [1,1':3',1''-terphenyl]-5'-yl-boronic acid and (3,5-Diphenylph

1.Introduction of 128388-54-5

(3,5-Diphenylphenyl)boronic acid has synonyms as [1,1':3',1''-terphenyl]-5'-yl-boronic acid and (3,5-Diphenylphenyl). Its CAS regsitry number is 128388-54-5. It is a kind of chemical products used as fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis, fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis, functional materials, OLED, OLED materials,pharm chemical,electronic chemical.

2.Properties of 128388-54-5

ACD/LogP: 5.39
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.39
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 5.5): 7334.46
ACD/BCF (pH 7.4): 6066.98
ACD/KOC (pH 5.5): 20327.88
ACD/KOC (pH 7.4): 16815.01
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
Polar Surface Area: 40.46?²
Index of Refraction: 1.652
Molar Refractivity: 82.701 cm³
Molar Volume: 226.322 cm³
Polarizability: 32.785 10-24cm³
Surface Tension: 54.814998626709 dyne/cm
Density: 1.211 g/cm³
Flash Point: 264.066 °C
Enthalpy of Vaporization: 82.582 kJ/mol
Boiling Point: 513.022 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 128388-54-5

(1)InChI: InChI=1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H
(2)InChIKey: MRBZYVMZUBUDAX-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O