CAS No.79876-59-8,2-Hydroxy-4-(3-triethoxysilylpropoxy)diphenylketone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79876-59-8
Name:	2-Hydroxy-4-(3-triethoxysilylpropoxy)diphenylketone

Formula:	C₂₂H₃₀O₆Si
Molecular Weight:	418.562
Synonyms:	2-Hydroxy-4-(3-triethoxysilylpropoxy)diphenylketone;4-(3-Triethoxysilylpropoxy)-2-hydroxybenzophenone;4-(3'-Triethoxysilylpropoxy)-2-hydroxybenzophenone;
EINECS:	431-490-8
Density:	1.111 g/cm³
Boiling Point:	493.397 °C at 760 mmHg
Flash Point:	252.198 °C
PSA:	74.22000
LogP:	4.44050

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Specification

The Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl-, with the CAS registry number 79876-59-8, is also known as 4-(3-Triethoxysilylpropoxy)-2-hydroxybenzophenone. Its EINECS registry number is 431-490-8. This chemical's molecular formula is C₂₂H₃₀O₆Si and molecular weight is 418.5555. What's more, its systematic name is called {2-Hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl}(phenyl)methanone.

Physical properties about Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl- are: (1)ACD/LogP: 6.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8619; (6)ACD/BCF (pH 7.4): 5210; (7)ACD/KOC (pH 5.5): 22779; (8)ACD/KOC (pH 7.4): 13769; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 74.22 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 115.622 cm³; (15)Molar Volume: 376.858 cm³; (16)Surface Tension: 37.896 dyne/cm; (17)Density: 1.111 g/cm³; (18)Flash Point: 252.198 °C; (19)Enthalpy of Vaporization: 78.941 kJ/mol; (20)Boiling Point: 493.397 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1O)OCCC[Si](OCC)(OCC)OCC)c2ccccc2
(2) InChI: InChI=1/C22H30O6Si/c1-4-26-29(27-5-2,28-6-3)16-10-15-25-19-13-14-20(21(23)17-19)22(24)18-11-8-7-9-12-18/h7-9,11-14,17,23H,4-6,10,15-16H2,1-3H3
(3) InChIKey: CCGWVKHKHWKOIQ-UHFFFAOYAK