303003
己烷-d14
99 atom % D
别名:
氘代正己烷
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关于此项目
线性分子式:
CD3(CD2)4CD3
化学文摘社编号:
分子量:
100.26
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1841418
产品名称
己烷-d14, 99 atom % D
InChI
1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
SMILES string
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI key
VLKZOEOYAKHREP-ZLKPZJALSA-N
vapor density
3 (vs air)
vapor pressure
132 mmHg ( 20 °C)
isotopic purity
99 atom % D
assay
99% (CP)
form
liquid
expl. lim.
7.7 %
technique(s)
NMR: suitable
impurities
≤0.5% water
water
refractive index
n20/D 1.3718 (lit.)
bp
69 °C
mp
-95 °C (lit.)
density
0.767 g/mL at 25 °C (lit.)
mass shift
M+14
Quality Level
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General description
Hexane-d14 is a deuterated NMR solvent that is useful in NMR-based research and analyses.
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 Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
target_organs
Central nervous system, Nervous system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
10.4 °F - closed cup
flash_point_c
-12 °C - closed cup
法规信息
危险化学品
美国出口管控产品
此项目有
A G Stepanov et al.
The European physical journal. E, Soft matter, 12(1), 57-61 (2004-03-10)
The translational and rotational dynamics of n-hexane adsorbed in ZSM-5 and 5A zeolites has been studied by neutron scattering and deuterium solid-state NMR, at various temperatures. The dynamics of n-hexane is quite different in the two zeolites. In the ZSM-5
Oluwasola Lawal et al.
Metabolomics : Official journal of the Metabolomic Society, 14(5), 66-66 (2018-05-05)
Infections such as ventilator-associated pneumonia (VAP) can be caused by one or more pathogens. Current methods for identifying these pathogenic microbes often require invasive sampling, and can be time consuming, due to the requirement for prolonged cultural enrichment along with
Vibration spectra and rotational isomerism of chain molecules. II. Butane, pentane, hexane, pentane-d12, and hexane-d14.
Harada I, et al.
Bulletin of the Chemical Society of Japan, 50(1), 102-110 (1977)
Pouline M P van Oort et al.
BMC pulmonary medicine, 17(1), 1-1 (2017-01-05)
The diagnosis of ventilator-associated pneumonia (VAP) remains time-consuming and costly, the clinical tools lack specificity and a bedside test to exclude infection in suspected patients is unavailable. Breath contains hundreds to thousands of volatile organic compounds (VOCs) that result from
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