4-Dibenzofuranboronic acid

Details:

1.Introduction of 100124-06-9

4-Dibenzofuranboronic acid has the IUPAC name of dibenzofuran-4-ylboronic acid. And its CAS registry number is 100124-06-9. It is a kind of Off-white to beige powder with the purity of 98.0%. product categories of heterocyclic compounds, boronic acid, dibenzofuran, organoborons, boronic acids, boronic acids and derivatives, heteroaryl, OLED materials,pharm chemical,electronic chemical.

2.Properties of 100124-06-9

ACD/LogP: 3.337
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.34
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 5.5): 201.81
ACD/BCF (pH 7.4): 164.57
ACD/KOC (pH 5.5): 1552.85
ACD/KOC (pH 7.4): 1266.30
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 53.6?²
Index of Refraction: 1.701
Molar Refractivity: 60.886 cm³
Molar Volume: 157.378 cm³
Polarizability: 24.137 10-24cm³
Surface Tension: 59.3110008239746 dyne/cm
Density: 1.347 g/cm³
Flash Point: 218.968 °C
Enthalpy of Vaporization: 73.278 kJ/mol
Boiling Point: 438.451 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 100124-06-9

(1)InChI: InChI=1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
(2)InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
(3)Canonical SMILES: B(C1=C2C(=CC=C1)C3=CC=CC=C3O2)(O)O

4.Safety Information of 100124-06-9

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 37/39-26
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT