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1992-15-0

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Basic Information
CAS No.: 1992-15-0
Name: 1,4-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE
Article Data: 2
Molecular Structure:
Molecular Structure of 1992-15-0 (1,4-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE)
Formula: C12H6F12O2
Molecular Weight: 410.159
Synonyms: 1,4-Benzenedimethanol,a,a,a',a'-tetrakis(trifluoromethyl)-(9CI);p-Xylene-a,a'-diol, a,a,a',a'-tetrakis(trifluoromethyl)-(7CI,8CI);1,4-Bis(2-hydroxyhexafluoro-2-propyl)benzene;1,4-HFAB;a,a,a',a'-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol;
Density: 1.638 g/cm3
Melting Point: 83-85 °C
Boiling Point: 325.393 °C at 760 mmHg
Flash Point: 150.593 °C
Hazard Symbols: IrritantXi
PSA: 40.46000
LogP: 4.31100
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Specification

The CAS register number of 1,4-Benzenedimethanol, a1,a1,a4,a4-tetrakis(trifluoromethyl)- is 1992-15-0. It also can be called as ,1,1,3,3,3-hexafluoro-2-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]propan-2-ol and the systematic name about this chemical is 2,2'-benzene-1,4-diylbis(1,1,1,3,3,3-hexafluoropropan-2-ol). The molecular formula about this chemical is C12H6F12O2 and the molecular weight is 410.16. It belongs to the following product categories which include Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Organic Building Blocks; Oxygen Compounds; Polyols and so on.

Physical properties about 1,4-Benzenedimethanol, a1,a1,a4,a4-tetrakis(trifluoromethyl)- are: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6831.3; (6)ACD/BCF (pH 7.4): 6427.51; (7)ACD/KOC (pH 5.5): 19329.96; (8)ACD/KOC (pH 7.4): 18187.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.384; (14)Molar Refractivity: 58.65 cm3; (15)Molar Volume: 250.3 cm3; (16)Polarizability: 23.25x10-24cm3; (17)Surface Tension: 23.5 dyne/cm; (18)Flash Point: 150.6 °C; (19)Enthalpy of Vaporization: 59.91 kJ/mol; (20)Boiling Point: 325.4 °C at 760 mmHg; (21)Vapour Pressure: 9.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(O)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-1-2-6(4-3-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
(3)InChIKey: YTJDSANDEZLYOU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-1-2-6(4-3-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
(5)Std. InChIKey: YTJDSANDEZLYOU-UHFFFAOYSA-N