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574-42-5

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Basic Information
CAS No.: 574-42-5
Name: 1,1',1'',1'''-(Oxydimethylidyne)Tetrakis Benzene
Article Data: 180
Molecular Structure:
Molecular Structure of 574-42-5 (1,1',1'',1'''-(Oxydimethylidyne)Tetrakis Benzene)
Formula: C26H22O
Molecular Weight: 350.46
Synonyms: Ether,bis(diphenylmethyl) (6CI,7CI,8CI);1,1,1',1'-Tetraphenyldimethyl ether;Benzhydrol ether;Benzhydryl ether;Benzhydryl oxide;Bis(benzhydryl) ether;Bis(diphenylmethyl) ether;Dibenzhydryl ether;Diphenylmethyl ether;NSC 2438;
Density: 1.105 g/cm3
Melting Point: 181-183℃ (methanol )
Boiling Point: 464.5 °C at 760 mmHg
Flash Point: 260.9 °C
PSA: 9.23000
LogP: 6.58220
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Specification

The CAS register number of Benzene,1,1',1'',1'''-(oxydimethylidyne)tetrakis- is 574-42-5. It also can be called as Dibenzhydryl ether and the IUPAC name about this chemical is [benzhydryloxy(phenyl)methyl]benzene. The molecular formula about this chemical is C26H22O and the molecular weight is 350.45228.

Physical properties about Benzene,1,1',1'',1'''-(oxydimethylidyne)tetrakis- are: (1)ACD/LogP: 7.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.79; (4)ACD/LogD (pH 7.4): 7.79; (5)ACD/BCF (pH 5.5): 489009.41; (6)ACD/BCF (pH 7.4): 489009.41; (7)ACD/KOC (pH 5.5): 411135.59; (8)ACD/KOC (pH 7.4): 411135.59; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 110.83 cm3; (14)Molar Volume: 316.9 cm3; (15)Polarizability: 43.93x10-24cm3; (16)Surface Tension: 45.1 dyne/cm; (17)Enthalpy of Vaporization: 69.81 kJ/mol; (18)Boiling Point: 464.5 °C at 760 mmHg; (19)Vapour Pressure: 2.31E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by diphenylmethanol. This reaction will need reagent dodecylbenzenesulfonic acid and solvent H2O. The reaction time is 24 hour(s) with reaction temperature of 80 °C. The yield is about 91%.

Uses of Benzene,1,1',1'',1'''-(oxydimethylidyne)tetrakis: it can be used to produce 3-benzhydryl-pentane-2,4-dione with pentane-2,4-dione at heating. This reaction will need catalyst CoCl2 with reaction time of 1 hours. The yield is about 97%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C(c1ccccc1)c2ccccc2)C(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C26H22O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
(3)InChIKey: PVQATPQSBYNMGE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C26H22O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
(5)Std. InChIKey: PVQATPQSBYNMGE-UHFFFAOYSA-N