Skip to Content
Merck
CN

Key Documents

View All Documentation

151866

Cyclohexane-d12

≥99.6 atom % D

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

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
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Level

200

isotopic purity

≥99.6 atom % D

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

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.

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

WGK 2

flash_point_f

-0.4 °F - closed cup

flash_point_c

-18 °C - closed cup

Regulatory Information

危险化学品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MBBD9406
MBBD9123
MBBD7169
MBBD4096
MBBD3759

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Articles

NMR Deuterated Solvent Properties Reference Chart

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.

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)
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)
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)
View All Related Papers

Global Trade Item Number

SKUGTIN
151866-10G04061838739759
151866-5X10G-N04061837648977
151866-5G04061837613173
151866-10X1ML04061837613159
151866-1G04061837613166
151866-10X1G-N04061837613142