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Biscresolfluorene

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Name

Biscresolfluorene

EINECS N/A
CAS No. 88938-12-9 Density 1.242 g/cm3
PSA 40.46000 LogP 6.07770
Solubility Insoluble in water Melting Point 218-219 °C
Formula C27H22O2 Boiling Point 533.4 °C at 760 mmHg
Molecular Weight 378.47 Flash Point 238 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 37
Molecular Structure Molecular Structure of 88938-12-9 (Biscresolfluorene) Hazard Symbols IrritantXi
Synonyms

phenol, 4,4'-(9H-fluoren-9-ylidene)bis[2-methyl-;4,4'-(9-Fluorenylidene)-di-o-cresoll-9,9-bis(3-methyl-4-hydroxyphenyl)fluorene;9,9-Bis(4'-hydroxy-3'-methylphenyl)fluorene;B 2396;BCF (phenol);4,4'-(9H-fluorene-9,9-diyl)bis(2-methylphenol);

Article Data 6

Biscresolfluorene Specification

The Biscresolfluorene, with the CAS registry number 88938-12-9, has the systematic name of 4,4'-(9H-fluorene-9,9-diyl)bis(2-methylphenol). It belongs to the following product categories: Fluorenes; Fluorenes & Fluorenones; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research. And the molecular formula of the chemical is C27H22O2.

The characteristics of Biscresolfluorene are as followings: (1)ACD/LogP: 5.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.71; (4)ACD/LogD (pH 7.4): 5.71; (5)ACD/BCF (pH 5.5): 12811.51; (6)ACD/BCF (pH 7.4): 12777.51; (7)ACD/KOC (pH 5.5): 30325.25; (8)ACD/KOC (pH 7.4): 30244.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 116 cm3; (15)Molar Volume: 304.5 cm3; (16)Polarizability: 45.98×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 238 °C; (20)Enthalpy of Vaporization: 83.97 kJ/mol; (21)Boiling Point: 533.4 °C at 760 mmHg; (22)Vapour Pressure: 5.43E-12 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to respiratory system. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1C)C4(c2ccccc2c3ccccc34)c5ccc(O)c(C)c5
(2InChI: InChI=1/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
(3)InChIKey: NUDSREQIJYWLRA-UHFFFAOYAN

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