4,7-DIHYDROXY-1,10-PHENANTHROLINE

The 1,10-Phenanthroline-4,7-diol, with CAS registry number 3922-40-5, has the systematic name of 1,10-dihydro-1,10-phenanthroline-4,7-dione. Besides this, it is also called 4,7-Dihydroxy-1,10-phenanthroline. And the chemical formula of this chemical is C₁₂H₈N₂O₂. What's more, its EINECS is 223-493-6.

Physical properties of 1,10-Phenanthroline-4,7-diol: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 140.17; (6)ACD/BCF (pH 7.4): 140.17; (7)ACD/KOC (pH 5.5): 1197.23; (8)ACD/KOC (pH 7.4): 1197.23; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 56.76 cm³; (15)Molar Volume: 154.7 cm³; (16)Polarizability: 22.5×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.371 g/cm³; (19)Flash Point: 187.4 °C; (20)Enthalpy of Vaporization: 67.14 kJ/mol; (21)Boiling Point: 417.9 °C at 760 mmHg; (22)Vapour Pressure: 3.42E-07 mmHg at 25°C.

Uses of 1,10-Phenanthroline-4,7-diol: it can be used to produce 3,4,7-tribromo-1,10-phenanthroline, 3,4,7,8-tetrabromo-1,10-phenanthroline, and 4,7-dibromo-[1,10]phenanthroline. This reaction will need reagents PBr₃, PBr₅. The yield is about 7%.

When you are using this chemical, please be cautious about it as the following:
The 1,10-Phenanthroline-4,7-diol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1c3c(N\C=C\1)c2c(C(=O)\C=C/N2)cc3
(2)InChI: InChI=1/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)
(3)InChIKey: SLIBCJURSADKPV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)
(5)Std. InChIKey: SLIBCJURSADKPV-UHFFFAOYSA-N