1 10-PHENANTHROLINE-5 6-DIONE 97

The 1,10-Phenanthroline-5,6-dione, with the CAS registry number 27318-90-7, is also known as 1,10-Phenanthroline-5,6-quinone. It belongs to the product categories of Electronic Chemicals; C11 to C12; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₁₂H₆N₂O₂ and molecular weight is 210.19. What's more, its IUPAC name is the same with its product name. It should be kept in a cold and dry place.

Physical properties about 1,10-Phenanthroline-5,6-dione are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.62; (8)ACD/KOC (pH 7.4): 28.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 59.92 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 54.85 cm³; (15)Molar Volume: 145.5 cm³; (16)Surface Tension: 73.4 dyne/cm; (17)Density: 1.444 g/cm³; (18)Flash Point: 229.1 °C; (19)Enthalpy of Vaporization: 71.6 kJ/mol; (20)Boiling Point: 456.1 °C at 760 mmHg; (21)Vapour Pressure: 1.66E-08 mmHg at 25 °C.

Preparation of 1,10-Phenanthroline-5,6-dione: this chemical can be prepared by [1,10]Phenanthroline. This reaction needs reagents bleach, HCl, Bu₄NHSO₄ and solvent CHCl₃. The reaction time is 6 hours. The yield is 22 %.

Uses of 1,10-Phenanthroline-5,6-dione: it is used to produce other chemicals. For example, it can react with Nitroethane to get 2-Methyl-1,3-dioxa-7,8-diaza-cyclopenta[l]phenanthrene. The reaction occurs with reagent carbonate buffer (pH 9.5) and solvents H₂O, acetonitrile at temperature of 55 °C. The yield is 67 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3C(=O)c1cccnc1c2ncccc23
(2) InChI: InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
(3) InChIKey: KCALAFIVPCAXJI-UHFFFAOYSA-N