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| CAS No.: | 88938-12-9 |
|---|---|
| Name: | Biscresolfluorene |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C27H22O2 |
| Molecular Weight: | 378.47 |
| 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); |
| Density: | 1.242 g/cm3 |
| Melting Point: | 218-219 °C |
| Boiling Point: | 533.4 °C at 760 mmHg |
| Flash Point: | 238 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 37 |
| Safety: | 26-36 |
| PSA: | 40.46000 |
| LogP: | 6.07770 |
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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