2-(4-HYDROXYPHENYL)-5-PYRIMIDINOL

The CAS registry number of 5-Pyrimidinol,2-(4-hydroxyphenyl)- is 142172-97-2. It belongs to the product categories of Quinazoline; Stains and Dyes. This chemical is also known as 2-(4-Hydroxyphenyl)-5-pyrimidinol. The molecular formula of it is C₁₀H₈N₂O₂ and molecular weight is 188.18. Its systematic name is called 2-(4-hydroxyphenyl)pyrimidin-5-ol.

Physical properties about this chemical are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 4.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 92.75; (8)ACD/KOC (pH 7.4): 6.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 50.79 cm³; (14)Molar Volume: 138 cm³; (15)Surface Tension: 69.7 dyne/cm; (16)Density: 1.363 g/cm³; (17)Flash Point: 132.8 °C; (18)Enthalpy of Vaporization: 55.71 kJ/mol; (19)Boiling Point: 295.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000838 mmHg at 25°C.

Uses of 5-Pyrimidinol,2-(4-hydroxyphenyl)-: it can be used to produce C₄₀H₅₀N₂O₁₀ at temperature of 80 °C. It will need reagents K₂CO₃, KOTs and solvent dimethylformamide. The yield is about 35 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)c2ncc(O)cn2
(2)InChI: InChI=1/C10H8N2O2/c13-8-3-1-7(2-4-8)10-11-5-9(14)6-12-10/h1-6,13-14H
(3)InChIKey: BKOPBDRWHKDPPN-UHFFFAOYAR