CYCLOPROPYL(TRIMETHYLSILYL)ACETYLENE

The CAS register number of Cyclopropane,[2-(trimethylsilyl)ethynyl]- is 81166-84-9. It also can be called as [(Trimethylsilyl)ethynyl]cyclopropane and the systematic name about this chemical is (cyclopropylethynyl)(trimethyl)silane. The molecular formula about this chemical is C₈H₁₄Si and the molecular weight is 138.28.

Physical properties about Cyclopropane,[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 126.41; (5)ACD/BCF (pH 7.4): 126.41; (6)ACD/KOC (pH 5.5): 1111.9; (7)ACD/KOC (pH 7.4): 1111.9; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.454; (10)Molar Refractivity: 43.78 cm³; (11)Molar Volume: 161.6 cm³; (12)Polarizability: 17.35x10^-24cm³; (13)Surface Tension: 23.5 dyne/cm; (14)Enthalpy of Vaporization: 35.23 kJ/mol; (15)Boiling Point: 129.8 °C at 760 mmHg; (16)Vapour Pressure: 12.2 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-trimethyl-silane and ethynylcyclopropane. This reaction will need reagent EtMgBr and solvent diethyl ether. The reaction time is 17 hour(s) at heating. The yield is about 61%.

Uses of Cyclopropane,[2-(trimethylsilyl)ethynyl]-: it can be used to produce 1,4-dicyclopropylbutadiyne at temperature of 20 ℃. This reaction will need reagent CuCl, Cu(OAc)₂ with reaction time of 12 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it is flammable. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CC1CC1)[Si](C)(C)C
(2)InChI: InChI=1/C8H14Si/c1-9(2,3)7-6-8-4-5-8/h8H,4-5H2,1-3H3
(3)InChIKey: IYQSVLJDYLPMCX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H14Si/c1-9(2,3)7-6-8-4-5-8/h8H,4-5H2,1-3H3
(5)Std. InChIKey: IYQSVLJDYLPMCX-UHFFFAOYSA-N