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CAS No.: | 603-44-1 |
---|---|
Name: | 4,4',4''-TRIHYDROXYTRIPHENYLMETHANE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C19H16O3 |
Molecular Weight: | 292.334 |
Synonyms: | Leucaurin(6CI);Phenol, 4,4',4''-methylidynetri- (7CI,8CI);4,4',4''-Methylidynetrisphenol;4,4',4''-Trihydroxyphenylmethane;4,4',4''-Trihydroxytriphenylmethane;Leucoaurin;NSC 75955;Tris(4-hydroxyphenyl)methane;Tris(p-hydroxyphenyl)methane;Trisphenol PHBA;4,4',4''-methylidynetriphenol; |
EINECS: | 210-040-2 |
Density: | 1.282 g/cm3 |
Melting Point: | 247 °C |
Boiling Point: | 503.8 °C at 760 mmHg |
Flash Point: | 239.6 °C |
PSA: | 60.69000 |
LogP: | 3.98360 |
Conditions | Yield |
---|---|
With sodium thioethylate In N,N-dimethyl-formamide for 24h; Heating; | 93% |
With sodium thioethylate In N,N-dimethyl-formamide for 9h; Heating; | 93% |
carbon monoxide
phenol
A
bis-(4-hydroxyphenyl)methane
B
4,4',4''-methylidynetrisphenol
C
4-hydroxy-benzaldehyde
D
salicylaldehyde
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 45℃; under 37503.8 - 60006 Torr; for 4.5h; Product distribution; Further Variations:; Reagents; time; | A n/a B n/a C 80% D 6% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; bismuth(III) sulfate In dichloromethane at 20℃; for 12h; Friedel-Crafts reaction; | 80% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; acetic acid In ethanol | 76% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; zinc(II) chloride at 45℃; for 25h; | 70% |
With sulfuric acid; acetic acid | |
With phosphoric acid | |
With sulfuric acid In 1,4-dioxane; water at 20℃; for 6h; | |
With toluene-4-sulfonic acid; zinc(II) chloride |
Conditions | Yield |
---|---|
bei Abwesenheit von Sauerstoff; |
Conditions | Yield |
---|---|
With zinc(II) chloride at 135℃; |
aurin
A
5,6-dihydro-3,5,5-trimethyl-1,4-oxazin-2-one
B
4,4',4''-methylidynetrisphenol
Conditions | Yield |
---|---|
With 3,5,5-trimethyl-2-morpholinon-3-yl In dimethylsulfoxide-d6 at 50℃; Yield given. Title compound not separated from byproducts; |
dichloromethane
phenol
A
2-[(4-hydroxyphenyl)methyl]phenol
B
bis-(4-hydroxyphenyl)methane
C
4,4',4''-methylidynetrisphenol
D
2-hydroxyphenylphenoxymethane
Conditions | Yield |
---|---|
at 15℃; for 48h; Irradiation; Further byproducts given; |
tetrachloromethane
(E)-3-Ureido-but-2-enoic acid ethyl ester
phenol
A
aurin
B
4,4',4''-methylidynetrisphenol
Conditions | Yield |
---|---|
at 135℃; Produkt: 9-<4-Oxy-phenyl>-xanthen, 9-<4-Oxy-phenyl>-fluoron; |
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The Phenol,4,4',4''-methylidynetris-, with CAS registry number 603-44-1, has the systematic name of 4,4',4''-methanetriyltriphenol. And its IUPAC name is 4-[bis(4-hydroxyphenyl)methyl]phenol. Besides this, it is also called 4,4',4''-Trihydroxytriphenylmethane. And the chemical formula of this chemical is C19H16O3.
Physical properties of Phenol,4,4',4''-methylidynetris-: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.83; (6)ACD/BCF (pH 7.4): 257.78; (7)ACD/KOC (pH 5.5): 1862.2; (8)ACD/KOC (pH 7.4): 1847.54; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 85.61 cm3; (15)Molar Volume: 227.9 cm3; (16)Polarizability: 33.93×10-24cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.282 g/cm3; (19)Flash Point: 239.6 °C; (20)Enthalpy of Vaporization: 80.24 kJ/mol; (21)Boiling Point: 503.8 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-11 mmHg at 25°C.
Preparation: this chemical can be prepared by Tris-(4-methoxy-phenyl)-methanol. This reaction will need reagent NaSEt and solvent dimethylformamide. The reaction time is 1 day(s). The yield is about 93%.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(O)cc3
(2)InChI: InChI=1/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
(3)InChIKey: WFCQTAXSWSWIHS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
(5)Std. InChIKey: WFCQTAXSWSWIHS-UHFFFAOYSA-N