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151866

Sigma-Aldrich

环己烷-d12

≥99.6 atom % D

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About This Item

线性分子式:
C6D12
CAS号:
1735-17-7
分子量:
96.23
Beilstein:
1908842
EC 号:
217-077-3
MDL编号:
MFCD00044212
UNSPSC代码:
12142201
PubChem化学物质编号:
24849172
NACRES:
NA.21

同位素纯度

≥99.6 atom % D

质量水平

200

方案

≥99% (CP)

表单

liquid

expl. lim.

0.34-6.3 % (lit.)

技术

NMR: suitable

折射率

n20/D 1.421 (lit.)

沸点

80.7 °C (lit.)

mp

6.5 °C (lit.)

密度

0.893 g/mL at 25 °C (lit.)

质量偏移

M+12

SMILES字符串

[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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相关类别

一般描述

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。

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警示用语：

Danger

危险分类

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Central nervous system

储存分类代码

3 - Flammable liquids

WGK

WGK 2

闪点(°F)

-0.4 °F - closed cup

闪点(°C)

-18 °C - closed cup

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MBBD9406
MBBD9123
MBBD7169
MBBD4096
MBBD3759

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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)

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NMR Deuterated Solvent Properties Reference Chart

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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.

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.

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.

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