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| CAS No.: | 1592-70-7 |
|---|---|
| Name: | 4-Vinylbenzylchloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C16H12O6 |
| Molecular Weight: | 300.268 |
| 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; |
| Density: | 1.58 g/cm3 |
| Melting Point: | >300℃ |
| Boiling Point: | 586.2 °C at 760 mmHg |
| Flash Point: | 224.1 °C |
| Hazard Symbols: | T,N |
| Risk Codes: | 25-50 |
| Safety: | 45-61 |
| PSA: | 100.13000 |
| LogP: | 2.58540 |
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- Total:18 Page 1 of 1 1
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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%.
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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