2,2',7,7'-Tetrabromo-9,9'-spirobifluorene CAS NO.128055-74-3

1.Introduction of 128055-74-3

2,2',7,7'-Tetrabromo-9,9'-spirobifluorene has synonyms as 2,2',7,7'-tetrabromo-9,9'-spirobifluorene; 2,2'',7,7'

1.Introduction of 128055-74-3

2,2',7,7'-Tetrabromo-9,9'-spirobifluorene has synonyms as 2,2',7,7'-tetrabromo-9,9'-spirobifluorene; 2,2'',7,7''-tetrabromo-9,9''-spiro-bifluoroene; 2,2'',7,7''-tetrabromo-9,9''-spirobi[9h-fluorene]; 2,2',7,7'-tetrabromo-9,9'-spirobiflurene; 2,2',7,7'-tetrabromo; 2,2',7,7'-tetrabromo-9,9'-spirobifluorene,tetrabromo-9,9'-spirobifluorene. Its CAS registry number is 128055-74-3. Its product categories are fluorene derivatives and fluorene series.

2.Properties of 128055-74-3

ACD/LogP: 13.096
# of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 13.10
ACD/LogD (pH 7.4): 13.10
ACD/BCF (pH 5.5): 1000000.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/KOC (pH 7.4): 10000000.00
Index of Refraction: 1.843
Molar Refractivity: 132.298 cm³
Molar Volume: 297.895 cm³
Polarizability: 52.447 10-24cm³
Surface Tension: 83.1520004272461 dyne/cm
Density: 2.121 g/cm³
Flash Point: 322.45 °C
Enthalpy of Vaporization: 90.257 kJ/mol
Boiling Point: 633.712 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 128055-74-3

(1)InChI: InChI=1S/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
(2)InChIKey: MASXXNUEJVMYML-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC2=C(C=C1Br)C3(C4=C2C=CC(=C4)Br)C5=C(C=CC(=C5)Br)C6=C3C=C(C=C6)Br