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| CAS No.: | 21785-09-1 |
|---|---|
| Name: | 7-METHOXYFLAVANONE |
| Molecular Structure: | |
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| Formula: | C16H14O3 |
| Molecular Weight: | 254.285 |
| Synonyms: | Flavanone,7-methoxy- (7CI,8CI);7-Methoxy-4-flavanone;7-Methoxy-2-phenylchroman-4-one; |
| Density: | 1.199 g/cm3 |
| Melting Point: | 89-91 °C(lit.) |
| Boiling Point: | 435.439 °C at 760 mmHg |
| Flash Point: | 209.004 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 35.53000 |
| LogP: | 3.40170 |
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Specification
The 7-Methoxyflavanone, with the CAS registry number 21785-09-1, is also known as 7-Methoxy-4-flavanone. It belongs to the product categories of Flavanones; Benzopyrans; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C16H14O3 and molecular weight is 254.28. What's more, its systematic name is 7-Methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one.
Physical properties of 7-Methoxyflavanone are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.05; (6)ACD/BCF (pH 7.4): 129.05; (7)ACD/KOC (pH 5.5): 1128.46; (8)ACD/KOC (pH 7.4): 1128.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 71.286 cm3; (15)Molar Volume: 211.99 cm3; (16)Polarizability: 28.26×10-24cm3; (17)Surface Tension: 44.80 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 209.004 °C; (20)Enthalpy of Vaporization: 69.172 kJ/mol; (21)Boiling Point: 435.439 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of 7-Methoxyflavanone: this chemical can be prepared by 7-methoxy-2-phenyl-chromen-4-one at the ambient temperature. This reaction will need reagent thallium(III) nitrate and solvent methanol with the reaction time of 20 hours. The yield is about 76%.
Uses of 7-Methoxyflavanone: it can be used to produce 2'-hydroxy-4'-methoxy-chalcone. It is a reaction of acid-catalyzed cyclization. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical 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 to wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(OC(c1ccccc1)C2)cc(OC)cc3
(2)Std. InChI: InChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
(3)Std. InChIKey: VYESEQLQFXUROZ-UHFFFAOYSA-N