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151866

Sigma-Aldrich

Cyclohexane-d12

≥99.6 atom % D

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Linear Formula:
C6D12
CAS Number:
Molecular Weight:
96.23
Beilstein/REAXYS Number:
1908842
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

≥99.6 atom % D

Quality Level

assay

≥99% (CP)

form

liquid

expl. lim.

0.34-6.3 % (lit.)

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

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

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1 of 4

This Item
175773490482151807
vibrant-m

151866

Cyclohexane-d12

vibrant-m

175773

Cyclohexanol-d12

vibrant-m

490482

Pentane-d12

vibrant-m

151807

Acetonitrile-d3

mass shift

M+12

mass shift

M+12

mass shift

M+12

mass shift

M+3

isotopic purity

≥99.6 atom % D

isotopic purity

≥98 atom % D

isotopic purity

98 atom % D

isotopic purity

≥99.8 atom % D

technique(s)

NMR: suitable

technique(s)

-

technique(s)

NMR: suitable

technique(s)

NMR: suitable

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

-

form

liquid

form

liquid

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.

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signalword

Danger

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_germany

WGK 2

flash_point_f

-0.4 °F - closed cup

flash_point_c

-18 °C - closed cup


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Rate of chair-to-chair interconversion of cyclohexane-d12 in its neat plastic crystalline phase.
McGrath KJ and Weiss RJ.
The Journal of Physical Chemistry, 97(11), 2497-2499 (1993)
Vibrational spectroscopic studies of the phase transitions in cyclohexane-d12 at high pressure.
Haines J and Gilson DFR.
The Journal of Physical Chemistry, 94(11), 4712-4716 (1990)
A vibrational study of cyclohexane and some of its isotopic derivatives-I: Raman and infrared spectra and assignments of cyclohexane and cyclohexane-d12.
Wiberg KB and Shrake A.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 27(7), 1139-1151 (1971)
Viscosities of benzene-d6 and cyclohexane-d12.
Dixon JA and Schiessler RW.
The Journal of Physical Chemistry, 58(5), 430-432 (1954)
Dynamic deuterium NMR in liquid crystalline solvents: Ring inversion of cyclohexane-d12.
Poupko R and Luz Z.
J. Chem. Phys. , 75(4), 1675-1681 (1981)

Articles

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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