ETHYLENE-D4 OXIDE

The CAS register number of Oxirane-2,2,3,3-d4 is 6552-57-4. It also can be called as Ethylene-d4oxide (6CI,7CI,8CI) and the systematic name about this chemical is (~2~H_4_)oxirane. The molecular formula about this chemical is C₂D₄O and the molecular weight is 48.08. It belongs to the following product categories which include Chemical Labeling ProductsChemical Synthesis; E-FPesticides; FumigantsStable Isotopes; GasesPesticides & Metabolites; LabeledMore...Close...; Alphabetical Listings; Biomolecular MS; Compressed and Liquefied GasesStable Isotopes; Insecticides; Pesticides; Stable Isotopes; Synthetic Reagents and so on.

Physical properties about Oxirane-2,2,3,3-d4 are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -0.8; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.73; (7)ACD/KOC (pH 7.4): 8.73; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.53 Å²; (10)Index of Refraction: 1.403; (11)Molar Refractivity: 10.82 cm³; (12)Molar Volume: 44.2 cm³; (13)Polarizability: 4.29x10^-24cm³; (14)Surface Tension: 31.2 dyne/cm; (15)Density: 1.085 g/cm³; (16)Enthalpy of Vaporization: 25.54 kJ/mol; (17)Boiling Point: 10.7 °C at 760 mmHg; (18)Vapour Pressure: 1260 mmHg at 25 °C.

Preparation: this chemical can be prepared by ethylene carbonate-d&4%. This reaction will need reagent of LiCl. The reaction time is 90 min with reaction temperature of 180 °C. The yield is about 94%.

Uses of Oxirane-2,2,3,3-d4: it can be used to produce C₆H₁₀D₄O₄ with 2,2'-oxy-bis-ethanol. This reaction will need reagent of KOH. The reaction time is 6 hours with reaction temperature of 50 °C. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause cancer and heritable genetic damage. It is extremely flammable and toxic by inhalation. If you want to use this chemical, please avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C1([2H])OC1([2H])[2H]
(2)InChI: InChI=1/C2H4O/c1-2-3-1/h1-2H2/i1D2,2D2
(3)InChIKey: IAYPIBMASNFSPL-LNLMKGTHEC
(4)Std. InChI: InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D2,2D2(5)Std. InChIKey: IAYPIBMASNFSPL-LNLMKGTHSA-N