2-Bromo-9,9'-spirobifluorene CAS NO.171408-76-7

1.Introduction of 171408-76-7

2-Bromo-9,9'-spirobifluorene has the CAS registry number of 171408-76-7. It has synonyms of 9,9′-spirobi[9h-fluorene],2′-bromo;2-bromo-9,9''-spirobifluoroene;2-bromo-9,9'-spirobi[9h-fluorene] and 2-bromo-9,9'-spirobi. It is widely used in chemical industry as luorene derivatives, fluorene series, OLED materials, pharm chemical and electronic chemical.

2.Properties of 171408-76-7

ACD/LogP: 7.265
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 7.27
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 5.5): 195523.20
ACD/BCF (pH 7.4): 195523.20
ACD/KOC (pH 5.5): 213312.20
ACD/KOC (pH 7.4): 213312.20
Index of Refraction: 1.782
Molar Refractivity: 109.134 cm3
Molar Volume: 259.723 cm3
Polarizability: 43.264 10-24cm3
Surface Tension: 68.2040023803711 dyne/cm
Density: 1.522 g/cm3
Flash Point: 259.774 °C
Enthalpy of Vaporization: 75.969 kJ/mol
Boiling Point: 517.213 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 171408-76-7

(1)InChI: InChI=1S/C25H15Br/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-
10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H
(2)InChIKey: ONCCVJKFWKAZAE-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)Br

4.Accidental release measures of 171408-76-7

Personal precautions:Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation.
Environmental precautions:Do not let product enter drains.
Methods and materials for containment and cleaning up:Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.