2-BROMOETHANOL-1,1,2,2-D4

The Ethan-1,1,2,2-d4-ol,2-bromo- (9CI), with the CAS registry number 81764-55-8, has the systematic name of 2-bromo-1,1,2,2-tetradeuterio-ethanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂HBrD₄O.

The characteristics of Ethan-1,1,2,2-d4-ol,2-bromo- (9CI) are as followings: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23 ; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 20.23 Ų; (9)Index of Refraction: 1.481; (10)Molar Refractivity: 20.58 cm³; (11)Molar Volume: 72.2 cm³; (12)Polarizability: 8.15×10^-24cm³; (13)Surface Tension: 39 dyne/cm; (14)Density: 1.785 g/cm³; (15)Flash Point: 57.1 °C; (16)Enthalpy of Vaporization: 43.53 kJ/mol; (17)Boiling Point: 136.2 °C at 760 mmHg; (18)Vapour Pressure: 3.18 mmHg at 25°C.

Preparation of Ethan-1,1,2,2-d4-ol,2-bromo- (9CI): This chemical can be prepared by 2-bromo-2,2-dideuterio-acetic acid ethyl ester. The reaction will need reagent LiAlD₄ and AlCl₃, and the menstruum diethyl ether. The reaction time is 2 hours with -78°C, and the yield is about 49%.

You should be cautious while dealing with this chemical. It is very Toxic by inhalation, in contact with skin and if swallowed and may cause burns. What's more, there's limited evidence of a carcinogenic effect. 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 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: BrC([2H])([2H])C([2H])([2H])O
(2)InChI: InChI=1/C2H5BrO/c3-1-2-4/h4H,1-2H2/i1D2,2D2
(3)InChIKey: LDLCZOVUSADOIV-LNLMKGTHEZ