3-TRIMETHYLSILYLPROPYNAL

The 3-Trimethylsilylpropynal is an organic compound with the formula C₆H₁₀OSi. The systematic name of this chemical is 3-(trimethylsilyl)prop-2-ynal. With the CAS registry number 2975-46-4, it is also named as 2-propynal, 3-(trimethylsilyl)-. Besides, it should be stored in a closed cool and dry place.

Physical properties about 3-Trimethylsilylpropynal are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 42.8; (5)ACD/BCF (pH 7.4): 42.8; (6)ACD/KOC (pH 5.5): 512.14; (7)ACD/KOC (pH 7.4): 512.14; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.424; (12)Molar Refractivity: 36.75 cm³; (13)Molar Volume: 143.9 cm³; (14)Polarizability: 14.57×10^-24cm³; (15)Surface Tension: 23.5 dyne/cm; (16)Density: 0.876 g/cm³; (17)Flash Point: 31.7 °C; (18)Enthalpy of Vaporization: 35.14 kJ/mol; (19)Boiling Point: 128.8 °C at 760 mmHg; (20)Vapour Pressure: 12.7 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N-dimethyl-formamide and ethynyl-trimethyl-silane. This reaction will need reagent n-BuLi. The yield is about 83%.

Uses of 3-Trimethylsilylpropynal: it can be used to produce [3-(Trimethylsilyl)-2-propinyliden]-malononitril. It will need reagent piperidine and solvent diethyl ether.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. 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: O=CC#C[Si](C)(C)C
(2)InChI: InChI=1/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3
(3)InChIKey: LJRWLSKYGWLYIM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3
(5)Std. InChIKey: LJRWLSKYGWLYIM-UHFFFAOYSA-N