-
Name
CYCLOTETRAMETHYLENEDIMETHYLSILANE
- EINECS
- CAS No. 1072-54-4
- Article Data2
- CAS DataBase
- Density 0.79 g/cm3
- Solubility
- Melting Point
- Formula C6H14Si
- Boiling Point 108.8 °C at 760 mmHg
- Molecular Weight 114.263
- Flash Point 4.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Silacyclopentane,1,1-dimethyl-;1,1-Dimethylsilacyclopentane;1,1-Dimethylsilolan;Cyclotetramethylenedimethylsilane;
- PSA 0.00000
- LogP 2.48860
1,1-Dimethyl-1-silacyclopentane Specification
The 1,1-Dimethyl-1-silacyclopentane, with the CAS registry number 1072-54-4, is also known as Cyclotetramethylenedimethylsilane. This chemical's molecular formula is C6H14Si and molecular weight is 114.26. What's more, its systematic name is 1,1-dimethylsilolane.
Physical properties of 1,1-Dimethyl-1-silacyclopentane are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/BCF (pH 5.5): 181.65; (5)ACD/KOC (pH 5.5): 1441.33 ; (6)Index of Refraction: 1.419; (7)Molar Refractivity: 36.53 cm3; (8)Molar Volume: 144.4 cm3; (9)Surface Tension: 18.7 dyne/cm; (10)Density: 0.79 g/cm3; (11)Flash Point: 4.4 °C; (12)Enthalpy of Vaporization: 33.32 kJ/mol; (13)Boiling Point: 108.8 °C at 760 mmHg; (14)Vapour Pressure: 29.8 mmHg at 25°C.
Preparation: this chemical can be prepared by dichloro-dimethyl-silane, 1,4-dibromo-butane by electrolysis. This reaction will need reagent tetraethylammonium bromide and solvent tetrahydrofuran, dimethylformamide. The yield is about 91%.
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Uses of 1,1-Dimethyl-1-silacyclopentane: it can be used to produce (1,1-dimethyl-silolan-3-yl)-acetic acid tert-butyl ester at the ambient temperature. It will need reagent Rh2(OAc)4 and solvent CH2Cl2 with the reaction time of 18 hours. The yield is about 85%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si]1(CCCC1)C
(2)InChI: InChI=1S/C6H14Si/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3
(3)InChIKey: KDQBKCRYCZJUAE-UHFFFAOYSA-N
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