ETHANOL-D6

The CAS register number of Ethanol-D₆ (9CI) is 1516-08-1. It also can be called as Deuteroethanol-D₆ and the systematic name about this chemical is (2H₅)ethan(2H)ol. The molecular formula about this chemical is C₂D₆O and the molecular weight is 52.11.

Physical properties about Ethanol-D₆ (9CI) are: (1)ACD/LogP: -0.19; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.84; (7)ACD/KOC (pH 7.4): 18.84; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.354; (13)Molar Refractivity: 12.84 cm³; (14)Molar Volume: 59 cm³; (15)Polarizability: 5.09x10^-24cm³; (16)Surface Tension: 22.3 dyne/cm; (17)Density: 0.882 g/cm³; (18)Flash Point: 8.9 °C; (19)Enthalpy of Vaporization: 38.56 kJ/mol; (20)Boiling Point: 72.6 °C at 760 mmHg; (21)Vapour Pressure: 82.8 mmHg at 25 °C.

Uses of Ethanol-D₆ (9CI): it can be used to produce bromo-pentadeuterio-ethane. This reaction will need reagent of PBr₃.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. If you want to store it, keep container tightly closed and keep away from sources of ignition. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device. This chemical may catch fire if in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C([2H])([2H])O[2H]
(2)InChI: InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
(3)InChIKey: LFQSCWFLJHTTHZ-LIDOUZCJEJ
(4)Std. InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
(5)Std. InChIKey: LFQSCWFLJHTTHZ-LIDOUZCJSA-N