STYRENE-D8

The Benzene-1, 2, 3, 4, 5-d₅, 6-(ethenyl-1, 2, 2-d₃)-, with the CAS registry number 19361-62-7, is also known as Styrene-d₈. And its EINECS registry number is 242-995-6. This chemical's molecular formula is C₈D₈ and molecular weight is 112.2. What's more, its IUPAC name is 1, 2, 3, 4, 5-Pentadeuterio-6-(1, 2, 2-trideuterioethenyl)benzene. In addition, it must be stored in airtight containers at 0-6 °C and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light, oxidant.

Physical properties about Benzene-1, 2, 3, 4, 5-d₅, 6-(ethenyl-1, 2, 2-d₃)- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.34; (6)ACD/BCF (pH 7.4): 66.34; (7)ACD/KOC (pH 5.5): 700.87; (8)ACD/KOC (pH 7.4): 700.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 37.17 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 14.73×10^-24 cm³; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.972 g/cm³; (19)Flash Point: 31.1 °C; (20)Enthalpy of Vaporization: 36.65 kJ/mol; (21)Boiling Point: 145.2 °C at 760 mmHg; (22)Vapour Pressure: 6.21 mmHg at 25 °C.

Uses of Benzene-1, 2, 3, 4, 5-d₅, 6-(ethenyl-1, 2, 2-d₃)-: it is used to produce other chemicals. For example, it is used to produce C₁₆H₁₂D₈. This reaction needs reagents n-BuLi and (2, 6-Di-iPr-C₆H₃-O)₂TiCl₂. Meanwhile, it needs solvents Benzene and Hexane. The reaction time is 1 weeks with reaction temperature of 20 °C. The yield is about 39 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. In addition, this chemical is harmful by inhalation. Besides, the dust of this chemical can not be breathed. What’s more, this chemical is flammable, and it may catch fire on contacting with an ignition source.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c([2H])c([2H])c([2H])c1[2H])C(\[2H])=C(/[2H])[2H]
(2) InChI: InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i1D2,2D,3D,4D,5D,6D,7D
(3) InChIKey: PPBRXRYQALVLMV-GDALLCCDER