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Flavanone

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Name

Flavanone

EINECS 207-654-8
CAS No. 487-26-3 Density 1.192 g/cm3
PSA 26.30000 LogP 3.39310
Solubility N/A Melting Point 76-78 °C(lit.)
Formula C15H12O2 Boiling Point 386.2 °C at 760 mmHg
Molecular Weight 224.259 Flash Point 181.9 °C
Transport Information N/A Appearance Very slightly yellow powder
Safety 36/37/39-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 487-26-3 (FLAVANONE) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one;2-Phenyl-3,4-dihydro-2H-benzopyran-4-one;2-Phenyl-3,4-dihydrobenzopyran-4-one;2-Phenyl-4-chromanone;4-Flavanone;

Article Data 270

Flavanone Consensus Reports

Reported in EPA TSCA Inventory.

Flavanone Specification

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%.

Flavanone can be prepared by 3-chloro-3-nitro-2-phenyl-chroman-4-one

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%.

Flavanone can react with pyrrole-2-carbaldehyde to get 2-phenyl-3-(1H-pyrrol-2-ylmethylene)-chroman-4-one

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.

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