9-BENZYLFLUORENE

The CAS register number of 9H-Fluorene,9-(phenylmethyl)- is 1572-46-9. It also can be called as 9-Benzylfluorene and the IUPAC name about this chemical is 9-benzyl-9H-fluorene. The molecular formula about this chemical is C₂₀H₁₆ and the molecular weight is 256.34.

Physical properties about 9H-Fluorene,9-(phenylmethyl)- are: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27470.38; (6)ACD/BCF (pH 7.4): 27470.38; (7)ACD/KOC (pH 5.5): 52350.95; (8)ACD/KOC (pH 7.4): 52350.95 ; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.652; (11)Molar Refractivity: 82.96 cm³; (12)Molar Volume: 226.6 cm³; (13)Polarizability: 32.88x10^-24cm³; (14)Surface Tension: 48.4 dyne/cm; (15)Density: 1.131 g/cm³; (16)Flash Point: 196.3 °C; (17)Enthalpy of Vaporization: 63.82 kJ/mol; (18)Boiling Point: 411.5 °C at 760 mmHg; (19)Vapour Pressure: 1.32E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-(9-benzyl-9H-fluoren-9-yl)-ethanone. This reaction will need reagent of F-/SiO₂ and solvent of dimethylformamide. The reaction time is 30 hours with reaction temperature of 100 °C. The yield is about 80%.

Uses of 9H-Fluorene,9-(phenylmethyl)-: it can be used to produce 4-(9-benzylfluoren-9-yl)tetrafluoropyridine with pentafluoro-pyridine. This reaction will need reagent of CsF and solvent of dimethylformamide. The reaction time is 4 hours with reaction temperature of 90 °C. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1c2c(cccc2)C3Cc4ccccc4
(2)InChI: InChI=1/C20H16/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2
(3)InChIKey: ZBQLAOVNDBNMFI-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C20H16/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2
(5)Std. InChIKey: ZBQLAOVNDBNMFI-UHFFFAOYSA-N