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61550-02-5

Basic Information
CAS No.: 61550-02-5
Name: 2-(TRIMETHYLSILYLOXY)FURAN
Article Data: 16
Molecular Structure:
Molecular Structure of 61550-02-5 (2-(TRIMETHYLSILYLOXY)FURAN)
Formula: C7H12O2Si
Molecular Weight: 156.257
Synonyms: Silane,(2-furanyloxy)trimethyl- (9CI);2-(Trimethylsiloxy)furan;2-(Trimethylsilyloxy)furan;2-Furyl trimethylsilyl ether;
Density: 0.947 g/cm3
Boiling Point: 148.6 °C at 760 mmHg
Flash Point: 42.5 °C
Hazard Symbols: FlammableF, IrritantXi
Risk Codes: 11-36/37/38
Safety: 26
Transport Information: UN 1993
PSA: 22.37000
LogP: 2.49330
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Specification

The Furan, 2-[(trimethylsilyl)oxy]-, with the CAS registry number of 61550-02-5, is also known as Trimethylsilyloxyfuran and 2-(Trimethylsiloxy)furan. It belongs to the product categories of Monoalkoxysilanes; Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Si-O Compounds; Synthetic Organic Chemistry; Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C7H12O2Si and molecular weight is 156.25. What's more, its IUPAC name is Furan-2-yloxy(trimethyl)silane. In addition, it should be stored at -20 °C. Meanwhile, it should avoid contact with oxidant.

Physical properties about Furan, 2-[(trimethylsilyl)oxy]- are: (1)ACD/LogP: -1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.85; (8)ACD/KOC (pH 7.4): 3.85; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.37 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 43.21 cm3; (15)Molar Volume: 164.9 cm3; (16)Polarizability: 17.13×10-24 cm3; (17)Surface Tension: 21.8 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 42.5 °C; (20)Enthalpy of Vaporization: 36.97 kJ/mol; (21)Boiling Point: 148.6 °C at 760 mmHg; (22)Vapour Pressure: 5.32 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Furan-2-yl-lithium with bis-Trimethylsilanyl peroxide. The reaction needs solvents Diethyl ether and Hexane. The reaction temperature is 10 °C. The yield is about 57 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 5-(3-Methyl-but-2-enyl)-5H-furan-2-one. This reaction will need catalyst AgOCOCF3 and solvent CH2Cl2. This reaction needs three steps, the reaction conditions are 1.) -78 °C, 20 min; 2.) -78 °C to -20 °C, 3h; 3.) 24 °C, 10 min. The yield is about 95 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1occc1)[Si](C)(C)C
(2) InChI: InChI=1/C7H12O2Si/c1-10(2,3)9-7-5-4-6-8-7/h4-6H,1-3H3
(3) InChIKey: ILBCDLOQMRDXLN-UHFFFAOYAI