ETHYL-2,2,2-D3 ALCOHOL

This chemical is called Ethan-2,2,2-d₃-ol, and its systematic name is (2,2,2-2H₃)ethanol. With the molecular formula of C₂H₃D₃O, its molecular weight is 49.09. The CAS registry number of this chemical is 1759-87-1. Keep it away from light and fire.

Other characteristics of the Ethan-2,2,2-d3-ol can be summarised as followings: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.84; (8)ACD/KOC (pH 7.4): 18.84; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.354; (14)Molar Refractivity: 12.84 cm³; (15)Molar Volume: 59 cm³; (16)Polarizability: 5.09×10^-24cm³; (17)Surface Tension: 22.3 dyne/cm; (18)Density: 0.831 g/cm³; (19)Flash Point: 8.9 °C; (20)Enthalpy of Vaporization: 38.56 kJ/mol; (21)Boiling Point: 72.6 °C at 760 mmHg; (22)Vapour Pressure: 82.8 mmHg at 25°C.

Production method of this chemical: The Ethan-2,2,2-d₃-ol could be obtained by the reactant of trideuterioacetyl chloride. This reaction needs the reagent of LiAlH₄, and the solvent of dibutyl ether. The yield is 85 %.

Uses of this chemical: The Ethan-2,2,2-d₃-ol could react with chloro-pyrazine, and obtain the 2-(2,2,2-trideuterioethoxy)pyrazine. This reaction needs the reagent of potassium, and the solvent of tetrahydrofuran. The yield is 60 %.

 

When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable and its container should be tightly closed. Keep it away from sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]C([2H])([2H])CO
2.InChI: InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3
3.InChIKey: LFQSCWFLJHTTHZ-FIBGUPNXEY