9,9-Bis(4-hydroxyphenyl)fluorene CAS NO.3236-71-3

1.Introduction of 3236-71-3

The CAS registry number is 3236-71-3, Its systematic name is 4,4'-(9H-Fluorene-9,9-diyl)diphenol. It is a kind of white powder with purity of 99.0%. It hsa wide applications in fluorene derivatives, fluorenes, flurenones, phenoles and thiophenoles, electronic chemicals, color former & related compounds, developer, fluorenes, fluorenes & fluorenones, fluorenes, etc. (reagent for high-performance polymer research), functional materials, reagent for high-performance polymer research, fluorene series.

2.Properties of 3236-71-3

ACD/LogP: 6.025
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 6.03
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 5.5): 22351.54
ACD/BCF (pH 7.4): 22208.07
ACD/KOC (pH 5.5): 45165.82
ACD/KOC (pH 7.4): 44875.91
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
Polar Surface Area: 40.46 ²
Index of Refraction: 1.711
Molar Refractivity: 106.353 cm³
Molar Volume: 271.991 cm³
Polarizability: 42.161 10-24cm³
Surface Tension: 63.5470008850098 dyne/cm
Density: 1.288 g/cm³
Flash Point: 241.003 °C
Enthalpy of Vaporization: 83.087 kJ/mol
Boiling Point: 526.396 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 3236-71-3

(1)InChI: InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H
(2)InChIKey: YWFPGFJLYRKYJZ-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

4.Safety Information of 3236-71-3

Hazard Codes: Xi,N
Risk Statements: 36/38-50/53-36/37/38
Safety Statements: 26-37-60-61-37/39
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
HazardClass: IRRITANT
HS Code: 38220000