151866

Cyclohexane-d₁₂

≥99.6 atom % D

• Linear Formula: C₆D₁₂
• CAS Number: 1735-17-7
• Molecular Weight: 96.23
• UNSPSC Code: 12142201
• NACRES: NA.21
• PubChem Substance ID: 24849172
• EC Number: 217-077-3
• Beilstein/REAXYS Number: 1908842
• MDL number: MFCD00044212
• Isotopic purity: ≥99.6 atom % D
• Assay: ≥99% (CP)
• Mass shift: M+12
• Form: liquid

Properties

• InChI key: XDTMQSROBMDMFD-LBTWDOQPSA-N
• InChI: 1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
• SMILES string: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
• isotopic purity: ≥99.6 atom % D
• assay: ≥99% (CP)
• form: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• Quality Level: 200
• technique(s): NMR: suitable
• refractive index: n20/D 1.421 (lit.)
• bp: 80.7 °C (lit.)
• mp: 6.5 °C (lit.)
• density: 0.893 g/mL at 25 °C (lit.)
• mass shift: M+12

Description

General description

Cyclohexane-d₁₂, a deuterated cyclohexane, is a standard purity solvent useful for routine NMR (Nuclear Magnetic Resonance) studies. Its infrared (vapor and liquid phase in the range of 376-4000cm^-1) and Raman (liquid phase) spectral investigations have been reported. Ring inversion of cyclohexane-d₁₂ has been studied by recording its deuterium NMR spectrum in the temperature range -36 to +115°C. It can be prepared by reacting benzene-d₆ and deuterium.

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: -0.4 °F - closed cup
• flash_point_c: -18 °C - closed cup