9-Bromo-10-phenylanthracene

Details:

1.Introduction of 23674-20-6

9-Bromo-10-phenylanthracene is the systematic name of this white powder substance. And its CAS number is 23674-20-6. It is usually used as organic chemicals, derivatives/others and OLED intermediates.

2.Properties of 23674-20-6

ACD/LogP: 7.209 # of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 7.21
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 5.5): 177290.10
ACD/BCF (pH 7.4): 177290.10
ACD/KOC (pH 5.5): 198877.20
ACD/KOC (pH 7.4): 198877.20
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
Polar Surface Area: 0 ²
Index of Refraction: 1.718
Molar Refractivity: 94.22 cm³
Molar Volume: 239.135 cm³
Polarizability: 37.352 10-24cm³
Surface Tension: 50.9179992675781 dyne/cm
Density: 1.393 g/cm³
Flash Point: 221.307 °C
Enthalpy of Vaporization: 68.12 kJ/mol
Boiling Point: 449.698 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 23674-20-6

(1)InChI: InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
(2)InChIKey: WHGGVVHVBFMGSG-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)Br

4.Synthesis of 9-Bromo-10-phenylanthracene

A mixture of 9,10-dibromoanthracene, phenylboronic acid and tetrakis(triphenylphosphine) palladium was added to an air-free two-phase mixture of THF and aqueous 2 M K2CO3. The resulting mixture was vigorously stirred under nitrogen atmosphere at 80 ℃ for 8 h. The organic layer was separated and the aqueous phase was extracted with dichloromethane , the combined organic layer was washed with brine and dried over anhydrous MgSO4. The solvent was evaporated under reduced pressure to give an light-yellow solid, which was further purified with column chromatography using petroleum ether/dichloromethane as eluant to afford the target product.