FLAVANONE

Reported in EPA TSCA Inventory.

The Flavanone with CAS registry number of 487-26-3 is also called 2-Phenyl-4-chromanone. Its EINECS registry number is 207-654-8. The IUPAC name is 2-phenyl-2,3-dihydrochromen-4-one.  In addition, the molecular formula is C₁₅H₁₂O₂ and the molecular weight is 224.25. It is a kind of very slightly yellow powder and belongs to the classes of Flavanones; Biochemistry; Flavonoids.

Physical properties about this chemical are: (1)ACD/LogP: 3.62 ; (2)ACD/LogD (pH 5.5): 3.62; (3)ACD/LogD (pH 7.4): 3.62; (4)ACD/BCF (pH 5.5): 330.89; (5)ACD/BCF (pH 7.4): 330.89; (6)ACD/KOC (pH 5.5): 2214.1; (7)ACD/KOC (pH 7.4): 2214.1; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 64.6 cm³; (13)Molar Volume: 187.9 cm³; (14)Polarizability: 25.61 ×10^-24cm³; (15)Surface Tension: 46 dyne/cm; (16)Density: 1.192 g/cm³; (17)Flash Point: 181.9 °C; (18)Enthalpy of Vaporization: 63.51 kJ/mol; (19)Boiling Point: 386.2 °C at 760 mmHg; (20)Vapour Pressure: 3.6E-06 mmHg at 25°C.

Preparation of Flavanone: it can be prepared by 3-chloro-3-nitro-2-phenyl-chroman-4-one. This reaction will need reagents Bu₃SnH and AIBN and solvent benzene. The reaction time is 4 hours by heating. The yield is about 97%.

Uses of Flavanone: it can react with pyrrole-2-carbaldehyde to get 2-phenyl-3-(1H-pyrrol-2-ylmethylene)-chroman-4-one. This reaction will need reagent piperidine. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. 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 protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(OC(c1ccccc1)C2)cccc3
(2)InChI: InChI=1/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
(3)InChIKey: ZONYXWQDUYMKFB-UHFFFAOYAD

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	75mg/kg (75mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.