1,4-DICHLOROBUTANE-D8

The Butane-1,1,2,2,3,3,4,4-d8,1,4-dichloro- (9CI), with the CAS registry number 83547-96-0, is also called 1,4-Dichlorobutane-d8. It is a kind of colorless liquid, and may have sweet smell. It belongs to the following product categories: Alphabetical Listings; D; Stable Isotopes. And the molecular formula of the chemical is C₄Cl₂D₈.

The characteristics of Butane-1,1,2,2,3,3,4,4-d8,1,4-dichloro- (9CI) are as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.65; (6)ACD/BCF (pH 7.4): 29.65; (7)ACD/KOC (pH 5.5): 393.85; (8)ACD/KOC (pH 7.4): 393.85; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 30.27 cm³; (15)Molar Volume: 117.3 cm³; (16)Polarizability: 12×10^-24cm³; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 1.151 g/cm³; (19)Flash Point: 40.8 °C; (20)Enthalpy of Vaporization: 37.46 kJ/mol; (21)Boiling Point: 153.9 °C at 760 mmHg; (22)Vapour Pressure: 4.18 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; 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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])(C([2H])([2H])C(Cl)([2H])[2H])C(Cl)([2H])[2H]
(2)InChI: InChI=1/C4H8Cl2/c5-3-1-2-4-6/h1-4H2/i1D2,2D2,3D2,4D2
(3)InChIKey: KJDRSWPQXHESDQ-SVYQBANQET