Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-D12
[CAS 1735-17-7]

Identification

• Classification: Chemical reagent >> Deuterated reagent
• Name: Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-D12
• Synonyms: Cyclohexane, D12; 269735_Aldrich; (2H12)Cyclohexane
• Molecular Formula: C₆D₁₂
• Molecular Weight: 96.24
• CAS Registry Number: 1735-17-7
• EINECS: 217-077-3
• SMILES: C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
• InChI: 1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
• InChIKey: XDTMQSROBMDMFD-LBTWDOQPSA-N

Properties

• Density: 0.89 (Expl.)
• Melting point: 6.5°C (Expl.)
• Boiling point: 78°C (Expl.)
• Flash point: -18.333°C (Cal.)
• Refractive index: 1.421 (Expl.)

Safety Data

• Safety Code: S9;S16;S33;S60;S61;S62
• Risk Code: R11;R38;R50/53;R65;R67
• Hazard Symbol: X;F;N
• Transport Information: UN1145
• Safety Description: DANGER: FLAMMABLE, irritates skin, eyes, lungs

References

• (1): Georgiy B. Shul’pin, Yuriy N. Kozlov, Galina V. Nizova, Georg Süss-Fink, Sandrine Stanislas, Alex Kitaygorodskiy and Vera S. Kulikova. Oxidations by the reagent “O–HO–vanadium derivative–pyrazine-2-carboxylic acid?. Part 12. Main features, kinetics and mechanism of alkane hydroperoxidation, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 1351.