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151866 Sigma-Aldrich

Cyclohexane-d12

≥99.6 atom % D

  • CAS Number 1735-17-7

  • Linear Formula C6D12

  • Molecular Weight 96.23

  •  Beilstein/REAXYS Number 1908842

  •  EC Number 217-077-3

  •  MDL number MFCD00044212

  •  PubChem Substance ID 24849172

  •  NACRES NA.21

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Properties

Related Categories Alphabetical Listings, C, Common NMR Solvents, Cyclohexane-d12, NMR Solvents,
Quality Level   200
isotopic purity   ≥99.6 atom % D
assay   ≥99% (CP)
form   liquid
expl. lim.   0.34-6.3 % (lit.)
application(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
SMILES string   [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI   1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChI key   XDTMQSROBMDMFD-LBTWDOQPSA-N

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.

Packaging

1, 5, 10 g in ampule

10×1 mL in ampule

Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
Target organs 
Central nervous system
RIDADR 
UN1145 - class 3 - PG 2 - Cyclohexane
WGK Germany 
WGK 3
Flash Point(F) 
-0.4 °F - closed cup
Flash Point(C) 
-18 °C - closed cup
Protocols & Articles

Articles

NMR Deuterated Solvent Properties Reference Chart

Use the chart below to look up the coupling values — JHD and JCD(JCF) distance between multiplet peaks in hertz (Hz) — and chemical shift delta values — ðH(Mult)b and ðc(Mult)b in parts per million (...
Keywords: Melting, Nuclear magnetic resonance spectroscopy, Solvents

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

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Pressure-Temperature Nomograph Interactive Tool

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Keywords: Evaporation, Vaporization

Properties of Solvents Chart

The solvent property charta lists the physical properties of solvents like Acetone, Benzene and Acetic Acid in alphabetical order for easier referencing. Use the solvent chart in the lab to find comm...
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Solvent Miscibility Table

Miscibility defines how substances combine (or mix) to form a homogenous solution without precipitates. Miscibility most often refers to liquids but can also apply to gas and solid phases.
Keywords: Calorimetry, Materials Science, PAGE, Pharmaceutical, Semiconductor, Separation, Solvents, Spectroscopy

Peer-Reviewed Papers
15

References

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