Name: Salicyl fluorone
SKU: 3569-82-2

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Basic Information

Molecular Structure:
CAS No.:	3569-82-2
Name:	Salicyl fluorone

Formula:	C₁₉H₁₂O₆
Molecular Weight:	336.301
Synonyms:	3H-Xanthen-3-one,2,6,7-trihydroxy-9-(o-hydroxyphenyl)- (6CI,7CI,8CI);2,3,7-Trihydroxy-9-(2-hydroxyphenyl)-6-fluorone;2,6,7-Trihydroxy-9-(2'-hydroxyphenyl)-3-fluorone;9-(2-Hydroxyphenyl)-2,3,7-trihydroxy-6-fluorone;9-(2-Hydroxyphenyl)-2,3,7-trihydroxyfluorone;9-(2-Hydroxyphenyl)fluorone;9-(o-Hydroxyphenyl)-2,3,7-trihydroxy-6-fluorone;NSC 9037;Salicylfluorone;o-Hydroxyphenylfluorone;
Density:	1.7 g/cm³
Boiling Point:	689.5 °C at 760 mmHg
Flash Point:	258.2 °C
PSA:	111.13000
LogP:	3.38720

Synthetic route

: 533-73-3
1,2,4-Trihydroxybenzene

: 90-02-8
salicylaldehyde

A: 3569-82-2
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one

B 2.3-dioxy-xanthene: 2.3-dioxy-xanthene

Conditions

Conditions	Yield
With ethanol; sulfuric acid

...Expand

: 3569-82-2
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one

: thorium(IV) ion

: bis(salicylfluoronato)thorium(IV)

Conditions

Conditions	Yield
In water concd. aq. Th(IV) soln. used, at pH > 2;
In water concd. aq. Th(IV) soln. used, at pH > 2;

: 3569-82-2
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one

: tin(II)

: tin(II) salicylfluoronate

Conditions

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;

: 3569-82-2
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one

: tin(IV)

: Sn(4+)*2[(OH)3C13O2H4C6H4OH]

Conditions

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;

: 3569-82-2
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one

: tin(IV)

: Sn(4+)*4[(OH)3C13O2H4C6H4OH]

Conditions

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;

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Specification

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