1,2,4-Trihydroxybenzene
salicylaldehyde
A
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
Conditions | Yield |
---|---|
With ethanol; sulfuric acid |
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
Conditions | Yield |
---|---|
In water concd. aq. Th(IV) soln. used, at pH > 2; | |
In water concd. aq. Th(IV) soln. used, at pH > 2; |
Conditions | Yield |
---|---|
With cetylpyridine chloride In sulfuric acid Kinetics; at pH=1-3, with 10-15 fold excess of salicylfluorone; not isolated, detected by UV; |
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
Conditions | Yield |
---|---|
With cetylpyridine chloride In ethanol; sulfuric acid Kinetics; at 0.1-0.5 mol/l H2SO4, with 3-7 fold excess of salicylfluorone ap pH=1.2-2.0; not isolated, detected by UV; |
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
Conditions | Yield |
---|---|
With cetylpyridine chloride In ethanol; sulfuric acid Kinetics; at 0.1-0.5 mol/l H2SO4, with 50-100 fold excess of salicylfluorone; not isolated, detected by UV; |
The 3H-Xanthen-3-one,2,6,7-trihydroxy-9-(2-hydroxyphenyl)-, with the CAS registry number 3569-82-2, has the systematic name of 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C19H12O6.
The characteristics of 3H-Xanthen-3-one,2,6,7-trihydroxy-9-(2-hydroxyphenyl)- are as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 156.9; (6)ACD/BCF (pH 7.4): 45.06; (7)ACD/KOC (pH 5.5): 1286.22; (8)ACD/KOC (pH 7.4): 369.38; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.828; (14)Molar Refractivity: 86.58 cm3; (15)Molar Volume: 197.4 cm3; (16)Polarizability: 34.32×10-24cm3; (17)Surface Tension: 105.7 dyne/cm; (18)Density: 1.7 g/cm3; (19)Flash Point: 258.2 °C; (20)nthalpy of Vaporization: 106.14 kJ/mol; (21)Boiling Point: 689.5 °C at 760 mmHg; (22)Vapour Pressure: 5.83E-20 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/2C(/O)=C\C1=C(\c3c(O/C1=C\2)cc(O)c(O)c3)c4ccccc4O
(2)InChI: InChI=1/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H
(3)InChIKey: GRWQEXZZWRVXDZ-UHFFFAOYAS
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