O-XYLENE-D10

The Benzene-1, 2, 3, 4-d₄, 5, 6-di(methyl-d₃)-, with the CAS registry number 56004-61-6, is also known as o-Xylene-d₁₀. And its EINECS registry number is 259-942-8. This chemical's molecular formula is C₈D₁₀ and molecular weight is 116.23. What's more, its IUPAC name is 1, 2, 3, 4-Tetradeuterio-5, 6-bis(trideuteriomethyl)benzene. In addition, it must be stored in airtight containers at -25 °C.

Physical properties about Benzene-1, 2, 3, 4-d₄, 5, 6-di(methyl-d₃)- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.96; (6)ACD/BCF (pH 7.4): 142.96; (7)ACD/KOC (pH 5.5): 1214.26; (8)ACD/KOC (pH 7.4): 1214.26; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 35.9 cm³; (15)Molar Volume: 121.9 cm³; (16)Polarizability: 14.23×10^-24 cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.952 g/cm³; (19)Flash Point: 28.9 °C; (20)Enthalpy of Vaporization: 36.24 kJ/mol; (21)Boiling Point: 145.9 °C at 760 mmHg; (22)Vapour Pressure: 5.99 mmHg at 25 °C.

Uses of Benzene-1, 2, 3, 4-d₄, 5, 6-di(methyl-d₃)-: it is used to produce other chemicals. For example, it is used to produce [4-2H]-1, 2-Bis(dibromodeuteriomethyl)benzene by heating. The reaction needs reagent NBS and solvent CCl₄. The reaction time is 3.5 hours. The yield is about 90 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to skin. In addition, this chemical is harmful by inhalation, in contact with skin. Besides, the vapour 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(c([2H])c([2H])c1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
(2) InChI: InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
(3) InChIKey: CTQNGGLPUBDAKN-ZGYYUIREEY