IODOETHANE-1,1-D2

The Ethane-1,1-d2, 1-iodo-(6CI,7CI,8CI,9CI), with the CAS registry number 3652-82-2, has the systematic name of 1,1-dideuterio-1-iodo-ethane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂H₃D₂I.

The characteristics of Ethane-1,1-d2, 1-iodo-(6CI,7CI,8CI,9CI) are as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03 ; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å²; (9)Index of Refraction: 1.516; (10)Molar Refractivity: 24.28 cm³; (11)Molar Volume: 80.3 cm³; (12)Polarizability: 9.62×10^-24cm³; (13)Surface Tension: 28.5 dyne/cm; (14)Density: 1.965 g/cm³; (15)Flash Point: 21.1 °C; (16)Enthalpy of Vaporization: 29.44 kJ/mol; (17)Boiling Point: 72.8 °C at 760 mmHg; (18)Vapour Pressure: 128 mmHg at 25°C. 

Uses of Ethane-1,1-d2, 1-iodo-(6CI,7CI,8CI,9CI): It can react with phthalimide; potassium salt to produce N-[1-2D]Ethylphthalimid. This reaction will need the menstruum dimethylformamide. The reaction time is 3 hours with temperature of 90°C, and the yield is about 65%.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed, and may cause sensitization by inhalation and skin contact. What's more, it may also cause harm to the unborn child. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC([2H])([2H])I
(2)InChI: InChI=1/C2H5I/c1-2-3/h2H2,1H3/i2D2
(3)InChIKey: HVTICUPFWKNHNG-CBTSVUPCEV