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151866

Cyclohexane-d12

≥99.6 atom % D

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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
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Quality Segment

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

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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

WGK 2

flash_point_f

-0.4 °F - closed cup

flash_point_c

-18 °C - closed cup

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