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151971

Sigma-Aldrich

辛烷-d18

98 atom % D

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About This Item

线性分子式:
CD3(CD2)6CD3
CAS号:
17252-77-6
分子量:
132.34
EC 号:
241-285-3
MDL编号:
MFCD00037626
UNSPSC代码:
12142201
PubChem化学物质编号:
24849186
NACRES:
NA.21

$220.00

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同位素纯度

98 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 1.394 (lit.)

沸点

125-127 °C

mp

-57 °C (lit.)

密度

0.815 g/mL at 25 °C (lit.)

质量偏移

M+18

SMILES字符串

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

InChI

1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2

InChI key

TVMXDCGIABBOFY-VAZJTQEUSA-N

相关类别

一般描述

Octane-d18 is a deuterated NMR solvent. It is useful in NMR-based research and analyses. It can be prepared starting from n-octane.[1] It undergoes H/D (Hydrogen/Deuterium) exchange reaction with mono pinacolboryl complex at 110°C.[2]

应用

Octane-d18 has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).[3]

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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)

55.4 °F - closed cup

闪点(°C)

13 °C - closed cup

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MBBD5208
MBBB9764V
MBBB0439V
TA1778V
OOS-TA1778V

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Catalytic, thermal, regioselective functionalization of alkanes and arenes with borane reagents.
Hartwig JF.
ACS Symp. Ser., 136-154 (2004)
Gregory P Horne et al.
Dalton transactions (Cambridge, England : 2003), 48(30), 11547-11555 (2019-07-12)
We report a 31P NMR investigation into the activated radioprotection mechanism of octylphenyl-N,N-diisobutyl-carbamoylmethyl phosphine oxide (CMPO) and analogues in the presence of a gamma radiation field. CMPO exhibits significantly enhanced radiation resistance in the presence of high nitric acid concentrations
The Synthesis and Properties of n-Octane-d18 and 2, 2, 4-Trimethylpentane-d181.
Dixon JA and Marr JW.
The Journal of Organic Chemistry, 28(11), 3085-3087 (1963)
Deuterium Tracer Studies and Gas Chromatography-Mass Spectrometry Analysis of Deuterated Products during Fischer-Tropsch Synthesis.
Shi B, et al.
Topics in Catalysis, 57(6-9), 460-469 (2014)

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