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CAS No.: | 67665-47-8 |
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Name: | 2,2'-Dibromo-9,9'-spirobifluorene |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C25H14Br2 |
Molecular Weight: | 474.194 |
Synonyms: | 2,2'-Dibromo-9,9'-spirobifluorene;2,2'-Dibromo-9,9'-spirobi[fluorene]; |
EINECS: | 679-884-0 |
Density: | 1.74 g/cm3 |
Melting Point: | 240°C(lit.) |
Boiling Point: | 557.4 °C at 760 mmHg |
Flash Point: | 335.1 °C |
PSA: | 0.00000 |
LogP: | 7.55510 |
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The 9,9'-Spirobi[9H-fluorene],2,2'-dibromo-, with the CAS registry number 67665-47-8, is also known as 2,2'-Dibromo-9,9'-spirobifluorene. It belongs to the product category of Fluorene Derivatives. This chemical's molecular formula is C25H14Br2 and formula weight is 474.187. What's more, its systematic name is 2,2'-dibromo-9,9'-spirobi[fluorene].
Physical properties of 9,9'-Spirobi[9H-fluorene],2,2'-dibromo- are: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.04; (4)ACD/BCF (pH 5.5): 754577.19; (5)ACD/KOC (pH 5.5): 560828.19; (6)Index of Refraction: 1.803; (7)Molar Refractivity: 116.85 cm3; (8)Molar Volume: 272.4 cm3; (9)Surface Tension: 73.3 dyne/cm; (10)Density: 1.74 g/cm3; (11)Flash Point: 335.1 °C; (12)Enthalpy of Vaporization: 80.8 kJ/mol; (13)Boiling Point: 557.4 °C at 760 mmHg; (14)Vapour Pressure: 6.86E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc5ccc6c1ccccc1C4(c2ccccc2c3ccc(Br)cc34)c6c5
(2)InChI: InChI=1S/C25H14Br2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H
(3)InChIKey: OZZSXAWYZYTWQD-UHFFFAOYSA-N