615803
Cyclohexane-d11
98 atom % D
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About This Item
Empirical Formula (Hill Notation):
C6D11H
Molecular Weight:
95.23
UNSPSC Code:
12142201
PubChem Substance ID:
MDL number:
isotopic purity
98 atom % D
bp
81 °C (lit.)
mp
6-7 °C (lit.)
density
0.879 g/mL at 25 °C
mass shift
M+11
SMILES string
[2H]C1C([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/i1D,2D2,3D2,4D2,5D2,6D2
InChI key
XDTMQSROBMDMFD-WTVBDOPLSA-N
General description
Cyclohexane-d11 is a deuterated species of cyclohexane. It is employed in obtaining the rate of ring inversion process during the conformational analysis of cyclohexane by NMR. The Raman spectra of cyclohexane-d11 in various solvents have been recorded to study the gas-to-liquid frequency shifts and isotropic Raman linewidths.
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
signalword
Danger
hcodes
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
-4.0 °F - closed cup - (in analogy to similar products)
flash_point_c
-20 °C - closed cup - (in analogy to similar products)
Regulatory Information
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Nuclear Magnetic Resonance Line-Shape and Double-Resonance Studies of Ring Inversion in Cyclohexane-d11.
Anet FAL and Bourn AJR.
Journal of the American Chemical Society, 89(4), 760-768 (1967)
Solvent-solute interactions and the Raman CH stretching spectrum of cyclohexane- d11: I. Solvent-dependence.
Remar GJ and MacPhail RA.
J. Chem. Phys. , 103(11), 4381-4392 (1995)