2,3,6,7,10,11-Hexahydroxytriphenylene

The 2,3,6,7,10,11-Hexahydroxytriphenylene, with the CAS registry number 4877-80-9, is also known as 2,3,6,7,10,11-Hexahydroxytriphenylene. It belongs to the product categories of Building Blocks for Discotic Liquid Crystals; Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C₁₈H₁₂O₆ and molecular weight is 324.28. What's more, its systematic name is triphenylene-2,3,6,7,10,11-hexol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of 2,3,6,7,10,11-Hexahydroxytriphenylene are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 256; (8)ACD/KOC (pH 7.4): 235; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 121.38 Å²; (13)Index of Refraction: 1.998; (14)Molar Refractivity: 91.07 cm³; (15)Molar Volume: 182.36 cm³; (16)Polarizability: 36.103×10^-24cm³; (17)Surface Tension: 124.256 dyne/cm; (18)Density: 1.778 g/cm³; (19)Flash Point: 374.527 °C; (20)Enthalpy of Vaporization: 116.932 kJ/mol; (21)Boiling Point: 776.272 °C at 760 mmHg.

Preparation: this chemical can be prepared by 2,3,6,7,10,11-hexamethoxytriphenylene by heating. This reaction will need reagents 47% aq. HBr, AcOH with the reaction time of 24 hours. The yield is about 75%.

Uses of 2,3,6,7,10,11-Hexahydroxytriphenylene: it can be used to produce (3,6,7,10,11-pentakis-cyanomethoxy-triphenylen-2-yloxy)-acetonitrile at the ambient temperature. It will need reagent K₂CO₃ and solvent dimethylformamide with the reaction time of 48 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cc3c4cc(O)c(O)cc4c1cc(O)c(O)cc1c3cc2O
(2)InChI: InChI=1S/C18H12O6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H
(3)InChIKey: QMLILIIMKSKLES-UHFFFAOYSA-N