2,7-Dibromo-9H-fluoren-9-one

Details:

1.Introduction of 14348-75-5

As the systematic name of 2,7-Dibromo-9H-fluoren-9-one, its IUPAC name is 4-(2,7-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-one. It has the CAS registry number of 14348-75-5. Our product in the market is a kind of yellow powder of 99.0% in purity, and it is widely used as fluorene derivatives, blocks, bromides, aromatic halides (substituted), electronic chemicals, fluorenes & fluorenones, fluorenones, C13 to C14, carbonyl compounds, ketones, fluorene series, OLED materials,pharm chemical,electronic chemical.

2.Properties of 14348-75-5

ACD/LogP: 4.879
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 4.88
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 5.5): 3004.11
ACD/BCF (pH 7.4): 3004.11
ACD/KOC (pH 5.5): 10738.51
ACD/KOC (pH 7.4): 10738.51
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
Polar Surface Area: 17.07 ²
Index of Refraction: 1.711
Molar Refractivity: 69.306 cm³
Molar Volume: 177.2 cm³
Polarizability: 27.475 10-24cm³
Surface Tension: 59.2910003662109 dyne/cm
Density: 1.907 g/cm³
Flash Point: 163.05 °C
Enthalpy of Vaporization: 71.043 kJ/mol
Boiling Point: 451.394 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 14348-75-5

(1)InChI: InChI=1S/C23H18Br2O/c1-14(26)11-20(15-5-3-2-4-6-15)23-21-12-16(24)7-9-18(21)19-10-8-17(25)13-22(19)23/h2-10,12-13,20,23H,11H2,1H3
(2)InChIKey: YAPVXDSNCDTSPK-UHFFFAOYSA-N
(3)Canonical SMILES : CC(=O)CC(C1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)C4=CC=CC=C4

4.Prepration of raw materials of 14348-75-5

The process of raw materials is as follows:
Etanol-->Sodium hydroxide-->Acetic acid glacial-->Toluene-->Sodium carbonate-->Chromic acid -->2,7-Dibromofluorene