151866
环己烷-d12
≥99.6 atom % D
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关于此项目
线性分子式:
C6D12
化学文摘社编号:
分子量:
96.23
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
217-077-3
Beilstein/REAXYS Number:
1908842
MDL number:
Isotopic purity:
≥99.6 atom % D
Assay:
≥99% (CP)
Mass shift:
M+12
Form:
liquid
Quality Level
InChI key
XDTMQSROBMDMFD-LBTWDOQPSA-N
InChI
1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
SMILES string
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
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
General description
环己烷环己烷-d12是一种氘代环己烷，一种可用于常规NMR（核磁共振）研究的标准纯度溶剂。它的红外光谱（蒸汽相和液相范围在376-4000cm-1之间）和拉曼光谱（液相）研究已被报道。通过记录其在-36至+ 115°C温度范围内的氘NMR谱图，环己烷-d12的环转化已被研究。它可通过使苯-d6与氘反应而制备。
Other Notes
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
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
-0.4 °F - closed cup
flash_point_c
-18 °C - closed cup
法规信息
危险化学品
此项目有
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)
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)
Viscosities of benzene-d6 and cyclohexane-d12.
Dixon JA and Schiessler RW.
The Journal of Physical Chemistry, 58(5), 430-432 (1954)
商品
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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