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| CAS No.: | 3559-74-8 |
|---|---|
| Name: | CYCLOPENTADIENYLTRIMETHYLSILANE |
| Molecular Structure: | |
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| Formula: | C8H14Si |
| Molecular Weight: | 138.285 |
| 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; |
| Density: | 0.83 g/cm3 |
| Melting Point: | -19 °C |
| Boiling Point: | 150.2 °C at 760 mmHg |
| Flash Point: | 29.7 °C |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 23-24/25-36/37/39-26-16 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 2.82080 |
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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%.
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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%.
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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