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Trimethylsilylcyclopentadiene

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Name

Trimethylsilylcyclopentadiene

EINECS N/A
CAS No. 3559-74-8 Density 0.83 g/cm3
PSA 0.00000 LogP 2.82080
Solubility N/A Melting Point -19 °C
Formula C8H14Si Boiling Point 150.2 °C at 760 mmHg
Molecular Weight 138.285 Flash Point 29.7 °C
Transport Information UN 1993 Appearance colorless liquid
Safety 23-24/25-36/37/39-26-16 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 3559-74-8 (CYCLOPENTADIENYLTRIMETHYLSILANE) Hazard Symbols IrritantXi
Synonyms

Silane,2,4-cyclopentadien-1-yltrimethyl- (7CI,8CI,9CI);1-(Trimethylsilyl)cyclopentadiene;1-Trimethylsilyl-2,4-cyclopentadiene;5-(Trimethylsilyl)-1,3-cyclopentadiene;5-(Trimethylsilyl)cyclopentadiene;NSC 176274;Trimethylsilylcyclopentadiene;Cyclopenta-1,3-dien-1-yl(trimethyl)silane;

 

Trimethylsilylcyclopentadiene Specification

The 1,3-Cyclopentadiene,5-(trimethylsilyl)-, with the CAS registry number 3559-74-8, is also known as Trimethylsilylcyclopentadiene. It belongs to the product categories of Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry; Alkenes; Cyclic; Organic Building Blocks. This chemical's molecular formula is C8H14Si and molecular weight is 138.28. What's more, its systematic name is Cyclopenta-2,4-dien-1-yl(trimethyl)silane. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place at the temperature of -20 °C. What's more, it should be protected from moisture and light.

Physical properties of 1,3-Cyclopentadiene,5-(trimethylsilyl)- are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 188.84; (6)ACD/BCF (pH 7.4): 188.84; (7)ACD/KOC (pH 5.5): 1481.95; (8)ACD/KOC (pH 7.4): 1481.95; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 45.59 cm3; (14)Molar Volume: 165 cm3; (15)Polarizability: 18.07×10-24 cm3; (16)Surface Tension: 21.1 dyne/cm; (17)Density: 0.83 g/cm3; (18)Flash Point: 29.7 °C; (19)Enthalpy of Vaporization: 37.11 kJ/mol; (20)Boiling Point: 150.2 °C at 760 mmHg; (21)Vapour Pressure: 4.95 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-trimethyl-silane and potassium cyclopentadienide. The yield is about 57%.

1,3-Cyclopentadiene,5-(trimethylsilyl)- can be prepared by chloro-trimethyl-silane and potassium cyclopentadienide

Uses of 1,3-Cyclopentadiene,5-(trimethylsilyl)-: it can be used to produce tert-butyl 1-cyclopentadienylacetate at the temperature of -78 °C. It will need reagent NaH and solvent tetrahydrofuran. The yield is about 95%.

1,3-Cyclopentadiene,5-(trimethylsilyl)- can be used to produce tert-butyl 1-cyclopentadienylacetate at the temperature of -78 °C

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you can't breathe gas/fumes/vapour/spray and you should avoid contact with skin and eyes. What's more, you need keep it away from sources of ignition. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)C1C=CC=C1
(2)InChI: InChI=1S/C8H14Si/c1-9(2,3)8-6-4-5-7-8/h4-8H,1-3H3
(3)InChIKey: VMFHCJPMKUTMMQ-UHFFFAOYSA-N

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