4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy- supplier

Name
4-Vinylbenzylchloride
EINECS
CAS No. 1592-70-7
Article Data3
CAS DataBase
Density 1.58 g/cm³
Solubility
Melting Point >300℃
Formula C₁₆H₁₂O₆
Boiling Point 586.2 °C at 760 mmHg
Molecular Weight 300.268
Flash Point 224.1 °C
Transport Information
Appearance
Safety 45-61
Risk Codes 25-50
Molecular Structure
Hazard Symbols T,N
Synonyms Flavone,4',5,7-trihydroxy-3-methoxy- (7CI,8CI);3-Methylkaempferol;3-O-Methylgalangine;3-O-Methylkaempferol;5,7,4'-Trihydroxy-3-methoxyflavone;Apigenin 3-O-methyl ether;Isokaempferide;Kaempferol 3-O-methyl ether;Kaempferol 3-methyl ether;Kaempferol 3-monomethyl ether;
PSA 100.13000
LogP 2.58540

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy- Specification

The 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy- is an organic compound with the formula C₁₆H₁₂O₆. The IUPAC name of this chemical is 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-
4-one. With the CAS registry number 1592-70-7, it is also named as 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-one. Besides, its molecular weight is 300.2629.

Physical properties about 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy- are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 0.8; (4)ACD/BCF (pH 5.5): 23.41; (5)ACD/BCF (pH 7.4): 1.1; (6)ACD/KOC (pH 5.5): 314.39; (7)ACD/KOC (pH 7.4): 14.77; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 63.22 Å²; (12)Index of Refraction: 1.726; (13)Molar Refractivity: 75.57 cm³; (14)Molar Volume: 190 cm³; (15)Polarizability: 29.95×10^-24 cm³; (16)Surface Tension: 85.6 dyne/cm; (17)Density: 1.58 g/cm³; (18)Flash Point: 224.1 °C; (19)Enthalpy of Vaporization: 90.79 kJ/mol; (20)Boiling Point: 586.2 °C at 760 mmHg; (21)Vapour Pressure: 2.44E-14 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-(4-Benzyloxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one. This reaction will need reagents AcOH; HCl. The reaction time is 3 hours. And this reaction will need heating. The yield is about 45%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
(2)InChIKey: VJJZJBUCDWKPLC-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
(4)Std. InChIKey: VJJZJBUCDWKPLC-UHFFFAOYSA-N

Product Name

4-Vinylbenzylchloride

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy- Specification

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