3',4'-Dihydroxyflavone

The 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-, with the CAS registry number 4143-64-0, is also known as 3',4'-Dihydroxyflavone. It belongs to the product category of Di-substituted Flavones. This chemical's molecular formula is C₁₅H₁₀O₄ and molecular weight is 254.2375. Its IUPAC name is called 2-(3,4-dihydroxyphenyl)chromen-4-one.

Physical properties of 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-: (1)ACD/LogP: 3.08; (2)ACD/LogD (pH 5.5): 3.08; (3)ACD/LogD (pH 7.4): 3.01; (4)ACD/BCF (pH 5.5): 128.3; (5)ACD/BCF (pH 7.4): 110.52; (6)ACD/KOC (pH 5.5): 1123.1; (7)ACD/KOC (pH 7.4): 967.48; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.698; (12)Molar Refractivity: 67.97 cm³; (13)Molar Volume: 176.1 cm³; (14)Surface Tension: 68.2 dyne/cm; (15)Density: 1.443 g/cm³; (16)Flash Point: 188.4 °C; (17)Enthalpy of Vaporization: 77.56 kJ/mol; (18)Boiling Point: 482.3 °C at 760 mmHg; (19)Vapour Pressure: 6.34E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(3,4-dimethoxy-phenyl)-chromen-4-one. This reaction will need reagent AlCl₃ and solvent acetonitrile. The reaction time is 3 hours. The yield is about 41%.

When you are using this chemical, please be cautious about it as the following:
This chemical 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 protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O
(2)InChI: InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
(3)InChIKey: SRNPMQHYWVKBAV-UHFFFAOYSA-N