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CAS No.: | 128055-74-3 |
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Name: | 2,2',7,7'-Tetrabromo-9,9'-spirobifluorene |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C25H12Br4 |
Molecular Weight: | 631.986 |
Synonyms: | 2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene];NSC 645359; |
EINECS: | 672-610-0 |
Density: | 2.12 g/cm3 |
Melting Point: | 395-400°C |
Boiling Point: | 633.7 °C at 760 mmHg |
Flash Point: | 322.5 °C |
Appearance: | off-white crystal |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 216.82000 |
LogP: | 3.81870 |
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The 2,2',7,7'-Tetrabromo-9,9'-spirobifluorene, with the CAS registry number 128055-74-3, is also called 9,9'-spirobi[9H-fluorene], 2,2',7,7'-tetrabromo-. It belongs to the product category of Fluorene Derivatives. And the molecular formula of this chemical is C25H12Br4.
The physical properties of 2,2',7,7'-Tetrabromo-9,9'-spirobifluorene are as following: (1)ACD/LogP: 9.58; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.843; (8)Molar Refractivity: 132.29 cm3; (9)Molar Volume: 297.8 cm3; (10)Polarizability: 52.44×10-24cm3; (11)Surface Tension: 83.1 dyne/cm; (12)Density: 2.12 g/cm3; (13)Flash Point: 322.5 °C; (14)Enthalpy of Vaporization: 90.26 kJ/mol; (15)Boiling Point: 633.7 °C at 760 mmHg; (16)Vapour Pressure: 2.83E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc5ccc6c1ccc(Br)cc1C4(c2cc(Br)ccc2c3ccc(Br)cc34)c6c5
(2)InChI: InChI=1/C25H12Br4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H
(3)InChIKey: MASXXNUEJVMYML-UHFFFAOYAH