9,9-Dimethyl-9H-fluorene CAS NO.4569-45-3

1.Introduction of 4569-45-3

9,9-Dimethyl-9H-fluorene has the CAS registry number of 4569-45-3. It has synonyms of 9,9-dimethylfluorene; 9,9-dimethyl-9h-fluorene; 9,9-dimethyl-fluororene; 9,9-dimethylfluorene (purified by sublimation); 9,9'-dimethylfluorenee; 9,9-dimethyl-9h-fluo; 9,9-dimethylfluorene, 9,9-dimethyl-9h-fluorene. It is a kind of light yellow to white crystal powder with purity of 99.0%. It belongs to product categories of fluorene derivatives, electronic chemicals, fluorenes, fluorenes & fluorenones, fluorene series.

2.Properties of 4569-45-3

ACD/LogP: 5.239
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.24
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 5.5): 5642.84
ACD/BCF (pH 7.4): 5642.84
ACD/KOC (pH 5.5): 16862.21
ACD/KOC (pH 7.4): 16862.21
Index of Refraction: 1.591
Molar Refractivity: 63.117 cm³
Molar Volume: 186.747 cm³
Polarizability: 25.022 10-24cm³
Surface Tension: 40.060001373291 dyne/cm
Density: 1.04 g/cm³
Flash Point: 138.655 °C
Enthalpy of Vaporization: 51.926 kJ/mol
Boiling Point: 300.79 °C at 760 mmHg
Vapour Pressure: 0.0020000000949949 mmHg at 25°C

3.Structure Descriptors of 4569-45-3

(1)InChI: InChI=1S/C15H14/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3
(2)InChIKey: ZHQNDEHZACHHTA-UHFFFAOYSA-N
(3)Canonical SMILES : CC1(C2=CC=CC=C2C3=CC=CC=C31)C

4.Safety Information of 4569-45-3

Risk Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39