|CAS No.||480-16-0||Density||1.799 g/cm3|
|Solubility||methanol: 50 mg/mL||Melting Point||299-300 °C (dec.)(lit.)
|Formula||C15H10O7||Boiling Point||645.5 °C at 760 mmHg|
|Molecular Weight||302.24||Flash Point||249.3 °C|
|Transport Information||Appearance||yellow to brown powder|
|Molecular Structure||Hazard Symbols||Xi|
Flavone,2',3,4',5,7-pentahydroxy- (8CI);2',3,4',5,7-Pentahydroxyflavone;2',4',3,5,7-Pentahydroxyflavone;2'-Hydroxypelargidenolon 1522;3,5,7,2',4'-Pentahydroxyflavone;3,5,7,2',4'-Pentahydroxyflavonol;C.I. 75660;C.I. Natural Yellow 11;LY 002079;NSC 19801;
Reported in EPA TSCA Inventory.
The 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, with the CAS registry number 480-16-0, is also known as 2',3,4',5,7-Pentahydroxyflavone. It belongs to the product categories of Flavanols; Biochemistry; Flavonoids. Its EINECS number is 207-542-9. This chemical's molecular formula is C15H10O7 and molecular weight is 302.24. What's more, its systematic name is 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one. Its classification codes are: (1)Antioxidants; (2)Indicators and reagents; (3)Mutation data; (4)Protective Agents. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as food antioxidants.
Physical properties of 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy- are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 8.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 149.52; (8)ACD/KOC (pH 7.4): 7.29; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45 Å2; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 73.31 cm3; (15)Molar Volume: 167.9 cm3; (16)Polarizability: 29.06×10-24cm3; (17)Surface Tension: 114.8 dyne/cm; (18)Density: 1.799 g/cm3; (19)Flash Point: 249.3 °C; (20)Enthalpy of Vaporization: 98.67 kJ/mol; (21)Boiling Point: 645.5 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-17 mmHg at 25°C.
Uses of 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-: it can be used to produce 2-(2,4-dimethoxy-phenyl)-3,5,7-trimethoxy-chromen-4-one by heating. It will need reagent potassium carbonate and solvent acetone with the reaction time of 4 hours. The yield is about 36%.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(2)Std. InChI: InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
(3)Std. InChIKey: YXOLAZRVSSWPPT-UHFFFAOYSA-N
The toxicity data is as follows:
|Organism||Test Type||Route||Reported Dose (Normalized Dose)||Effect||Source|
|mouse||LD50||intraperitoneal||555mg/kg (555mg/kg)||BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
BEHAVIORAL: MUSCLE WEAKNESS
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
|Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 395, 1960.|
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