4-(1-Naphthyl)phenylboronic acid

Details:

1.Introduction of 870774-25-7

As the systematic name of [4-(1-naphthyl)phenyl]boronic acid, its CAS registry number is 870774-25-7. It has synonyms of 4-(naphthalen-1-yl)phenylboronic acid , 4-(1-naphthyl)phenylboronic acid (contains varying amounts of anhydride),97.0+%(t), 4-(1-naphthyl)benzeneboronic acid, 4-(1-naphthyl)phenylboronic acid (contains varying amounts of anhydride), boronic acid, [4-(1-naphthalenyl)phenyl]-, 4-(1-naphtyl)phenylboronic acid, 4-(1-naphthyl)phenylboronic acid, 4-(naphth-1-yl)benzeneboronic acid.. 4-(1-Naphthyl)phenylboronic acid belongs to B (Classes of Boron Compounds), Boronic Acids, OLED materials, pharm chemical, electronic chemical.

2.Properties of 870774-25-7

ACD/LogP: 4.577
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 4.58
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 5.5): 1771.90
ACD/BCF (pH 7.4): 1662.39
ACD/KOC (pH 5.5): 7357.42
ACD/KOC (pH 7.4): 6902.73
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
Polar Surface Area: 40.46 ²
Index of Refraction: 1.676
Molar Refractivity: 75.552 cm³
Molar Volume: 200.735 cm³
Polarizability: 29.951 10-24cm³
Surface Tension: 55.8120002746582 dyne/cm
Density: 1.236 g/cm³
Flash Point: 225.568 °C
Enthalpy of Vaporization: 74.616 kJ/mol
Boiling Point: 449.365 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 870774-25-7

(1)InChI: InChI=1S/C16H13BO2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-19H
(2)InChIKey: BQHVXFQXTOIMQM-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)(O)O