7-HYDROXY-4-PHENYLCOUMARIN 97

The 7-Hydroxy-4-phenylcoumarin is an organic compound with the formula C₁₅H₁₀O₃. The IUPAC name of this chemical is 7-hydroxy-4-phenylchromen-2-one. With the CAS registry number 2555-30-8, it is also named as Hydroxy-7, phenyl-4-coumarine. The product's categories are Coumarin; Building Blocks; Coumarins; Heterocyclic Building Blocks.

Physical properties about this chemical are: (1)ACD/LogP: 3.98; (2)ACD/LogD (pH 5.5): 3.97; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 615.57; (5)ACD/BCF (pH 7.4): 442.06; (6)ACD/KOC (pH 5.5): 3447.83; (7)ACD/KOC (pH 7.4): 2476.03; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53Ų; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 66.08 cm³; (14)Molar Volume: 177.7 cm³; (15)Polarizability: 26.19×10^-24cm³; (16)Surface Tension: 58.2 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 203.3 °C; (19)Enthalpy of Vaporization: 74.61 kJ/mol; (20)Boiling Point: 458.3 °C at 760 mmHg; (21)Vapour Pressure: 5.11E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-oxo-3-phenyl-propionic acid ethyl ester and benzene-1,3-diol. This reaction will need reagent p-TsOH. The reaction time is 10 min with reaction temperature of 60°C. The yield is about 92%.

Uses of 7-Hydroxy-4-phenylcoumarin: it can be used to produce 7-hydroxy-8-iodo-4-phenyl-2H-1-benzopyran-2-one at ambient temperature. It will need ethanol and I₂ with reaction time of 2 hours. The yield is about 80%.

This chemical is irritating to eyes, respiratory system and skin. When you are using it, you should rinse immediately with plenty of water and seek medical advice, and wear suitable protective clothing, gloves and eye/face protection. This chemical can causes burns, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(O)ccc1\C(=C\2)c3ccccc3
(2)InChI: InChI=1/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H 
(3)InChIKey: IVJMJRRORVMRJJ-UHFFFAOYAH 
(4)Std. InChI: InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H 
(5)Std. InChIKey: IVJMJRRORVMRJJ-UHFFFAOYSA-N