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| CAS No.: | 6665-86-7 |
|---|---|
| Name: | 7-HYDROXYFLAVONE |
| Article Data: | 93 |
| Molecular Structure: | |
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| Formula: | C15H10O3 |
| Molecular Weight: | 238.243 |
| Synonyms: | NSC 94258;7-Hydroxyflavone;Flavone,7-hydroxy- (7CI,8CI); |
| EINECS: | 229-705-3 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 245-247 °C(lit.) |
| Boiling Point: | 450.1 °C at 760 mmHg |
| Flash Point: | 176.3 °C |
| Solubility: | Insoluble in water |
| Appearance: | off-white crystals |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 50.44000 |
| LogP: | 3.16560 |
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Specification
The 4H-1-Benzopyran-4-one,7-hydroxy-2-phenyl-, with the CAS registry number 6665-86-7, is also known as 7-Hydroxyflavone. It belongs to the product categories of Mono-substituted Flavones; Biochemistry; Flavonoids. Its EINECS number is 229-705-3. Its IUPAC name is called 7-hydroxy-2-phenylchromen-4-one. This chemical is off-white crystals.
Physical properties of 4H-1-Benzopyran-4-one,7-hydroxy-2-phenyl-: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.31; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 190.53; (5)ACD/BCF (pH 7.4): 57.46; (6)ACD/KOC (pH 5.5): 1478.76; (7)ACD/KOC (pH 7.4): 446; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 66.08 cm3; (13)Molar Volume: 177.7 cm3; (14)Surface Tension: 58.2 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 176.3 °C; (17)Enthalpy of Vaporization: 73.62 kJ/mol; (18)Boiling Point: 450.1 °C at 760 mmHg; (19)Vapour Pressure: 1.02E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(4-benzoyloxy-2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione. This reaction will need reagent concentrated sulfuric acid.
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Uses of 4H-1-Benzopyran-4-one,7-hydroxy-2-phenyl-: it can be used to produce (4-oxo-2-phenyl-4H-chromen-7-yloxy)-acetic acid methyl ester. This reaction will need reagent potassium carbonate and acetone.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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 and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
(2)InChI: InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
(3)InChIKey: MQGPSCMMNJKMHQ-UHFFFAOYSA-N