IODOETHANE-D5

The Ethane-1,1,1,2,2-d₅,2-iodo- is an organic compound with the formula C₂D₅I. The systematic name of this chemical is iodo(²H₅)ethane. With the CAS registry number 6485-58-1, it is also named as Ethyl-d₅ iodide. Besides, it should be stored in a closed cool and dry place.

Physical properties about Ethane-1,1,1,2,2-d₅,2-iodo- are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.48; (5)ACD/BCF (pH 7.4): 20.48; (6)ACD/KOC (pH 5.5): 302.23; (7)ACD/KOC (pH 7.4): 302.23; (8)Index of Refraction: 1.516; (9)Molar Refractivity: 24.28 cm³; (10)Molar Volume: 80.3 cm³; (11)Polarizability: 9.62×10^-24cm³; (12)Surface Tension: 28.5 dyne/cm; (13)Density: 2.003 g/cm³; (14)Flash Point: 21.1 °C; (15)Enthalpy of Vaporization: 29.44 kJ/mol; (16)Boiling Point: 72.8 °C at 760 mmHg; (17)Vapour Pressure: 128 mmHg at 25°C.

Uses of Ethane-1,1,1,2,2-d₅,2-iodo-: it can be used to produce 3-(pentadeuterioethyl)pentane-2,4-dione. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical may cause sensitisation by inhalation and skin contact. It has possible risk of harm to the unborn child. When you are using it, wear suitable gloves and eye/face protection and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C([2H])([2H])I
(2)InChI: InChI=1/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2
(3)InChIKey: HVTICUPFWKNHNG-ZBJDZAJPEU
(4)Std. InChI: InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2
(5)Std. InChIKey: HVTICUPFWKNHNG-ZBJDZAJPSA-N