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CAS No.: | 159-66-0 |
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Name: | 9,9'-Spirobi[9H-fluorene] |
Molecular Structure: | |
Formula: | C25H16 |
Molecular Weight: | 316.402 |
Synonyms: | 9,9'-Spirobifluorene(7CI,8CI);9,9-Spirobifluorene;Bis(2,2'-biphenylene)methane;Spirobifluorene;spiro-Difluorene; |
Density: | 1.28 g/cm3 |
Melting Point: | 202 °C |
Boiling Point: | 474.9 °C at 760 mmHg |
Flash Point: | 236.8 °C |
Solubility: | Soluble in common organic solvents. Slightly soluble in water. |
Appearance: | white crystal |
Hazard Symbols: | T,Xn |
Risk Codes: | R60; R40 |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 6.03010 |
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The 9,9'-Spirobi(9H-fluorene), with the CAS registry number 159-66-0, has the systematic name and IUPAC name of 9,9'-spirobifluorene. It belongs to the product categories of Fluorene Derivatives and Electronic Chemicals. And the molecular formula of this chemical is C25H16.
The physical properties of 9,9'-Spirobi(9H-fluorene) are as following: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 47.88 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 18.98×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.225 g/cm3; (19)Flash Point: 178 °C; (20)Enthalpy of Vaporization: 65.16 kJ/mol; (21)Boiling Point: 370.7 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-06 mmHg at 25°C.
Preparation of 9,9'-Spirobi(9H-fluorene): This chemical can be prepared by 9-biphenyl-2-yl-fluoren-9-ol. The reaction will need reagents HOAc and HCl, and the solvent H2O. And the yield is about 96%.
Uses of 9,9'-Spirobi(9H-fluorene): It can react with dichloro-methoxy-methane to produce 2-carboxaldehyde-9,9'-spirobifluorene. This reaction will need reagent TiCl4, and the solvent CH2Cl2. The reaction time is 1 hour with temperature of 0-20°C, and the yield is about 30%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2c1c(cccc1)CCN2
(2)InChI: InChI=1/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)
(3)InChIKey: OXFGRWIKQDSSLY-UHFFFAOYAG