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52057-48-4

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Basic Information
CAS No.: 52057-48-4
Name: DIETHYL TRIMETHYLSILYLPHOSPHATE
Molecular Structure:
Molecular Structure of 52057-48-4 (DIETHYL TRIMETHYLSILYLPHOSPHATE)
Formula: C7H19O3PSi
Molecular Weight: 210.285
Synonyms: Phosphonicacid, (trimethylsilyl)-, diethyl ester (9CI);Diethyl(trimethylsilyl)phosphonate;
Density: 0.97g/cm3
Boiling Point: 151.983 °C at 760 mmHg
Flash Point: 45.718 °C
PSA: 54.57000
LogP: 3.01900
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Specification

The Phosphonic acid,P-(trimethylsilyl)-, diethyl ester, with CAS registry number 52057-48-4, has the systematic name of diethyl (trimethylsilyl)phosphonate. Besides this, it is also called Diethyl trimethylsilylphosphate. And the chemical formula of this chemical is C7H19O3PSi.

Physical properties of Phosphonic acid,P-(trimethylsilyl)-, diethyl ester: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 164; (8)ACD/KOC (pH 7.4): 164; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 53.56 cm3; (15)Molar Volume: 216.691 cm3; (16)Polarizability: 21.233×10-24cm3; (17)Surface Tension: 24.328 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 45.718 °C; (20)Enthalpy of Vaporization: 37.28 kJ/mol; (21)Boiling Point: 151.983 °C at 760 mmHg; (22)Vapour Pressure: 4.565 mmHg at 25°C.

Uses of Phosphonic acid,P-(trimethylsilyl)-, diethyl ester: it can be used to produce (3-trimethylsilanyloxy-cyclopent-2-enyl)-phosphonic acid diethyl ester. This reaction will need solvent nitromethane. The reaction time is 134 hour(s). The yield is about 54%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)[Si](C)(C)C
(2)InChI: InChI=1/C7H19O3PSi/c1-6-9-11(8,10-7-2)12(3,4)5/h6-7H2,1-5H3
(3)InChIKey: VSZFYBLSMQWXDL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H19O3PSi/c1-6-9-11(8,10-7-2)12(3,4)5/h6-7H2,1-5H3
(5)Std. InChIKey: VSZFYBLSMQWXDL-UHFFFAOYSA-N