9,10-Bis(2-naphthyl)anthracene-2-ylboronic acid CAS NO.867044-28-8

1.Introduction of 867044-28-8

9,10-Bis(2-naphthyl)anthracene-2-ylboronic acid has CAS registry number of 867044-28-8. Other synonyms are
boronic acid, (9,10-di-2-naphthalenyl-2-anthracenyl)-; (9,10-di-2-naphthalenyl-2-anthracenyl)- boronic acid; 9,10-bis(2-naphthyl)anthracene-2-ylboronic acid; 9,10-bis(2-naphthyl); 9,10-di(2-naphthyl)anthracene-2-yl boronic acid. It is usually used as electronic chemical. Our product is a kind of white powder with purity of 98.0%.

2.Properties of 867044-28-8

ACD/LogP: 10.027
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 10.03
ACD/LogD (pH 7.4): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 5.5): 6778035.00
ACD/KOC (pH 7.4): 6206601.00
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
Polar Surface Area: 40.46 ²
Index of Refraction: 1.799
Molar Refractivity: 152.929 cm³
Molar Volume: 357.778 cm³
Polarizability: 60.626 10-24cm³
Surface Tension: 70.1460037231445 dyne/cm
Density: 1.326 g/cm³
Flash Point: 368.391 °C
Enthalpy of Vaporization: 105.584 kJ/mol
Boiling Point: 685.523 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 867044-28-8

(1)InChI: InChI=1S/C34H23BO2/c36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-
10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26/h1-21,36-37H
(2)InChIKey: NVPJWLBDGLWXCH-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6)(O)O