366544
乙腈-D3
99.8 atom % D, contains 0.03 % (v/v) TMS
别名:
氘代乙腈, 氘代乙腈-D3
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关于此项目
线性分子式:
CD3CN
化学文摘社编号:
分子量:
44.07
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
218-616-5
Beilstein/REAXYS Number:
1740230
MDL number:
Isotopic purity:
99.8 atom % D
Assay:
99% (CP)
Mass shift:
M+3
Form:
liquid
InChI key
WEVYAHXRMPXWCK-FIBGUPNXSA-N
InChI
1S/C2H3N/c1-2-3/h1H3/i1D3
SMILES string
[2H]C([2H])([2H])C#N
isotopic purity
99.8 atom % D
assay
99% (CP)
form
liquid
contains
0.03 % (v/v) TMS
expl. lim.
3.0-16 % (lit.)
Quality Level
impurities
≤0.02% water
water
refractive index
n20/D 1.341 (lit.)
bp
80.7 °C (lit.)
mp
-46 °C (lit.)
density
0.844 g/mL at 25 °C (lit.)
mass shift
M+3
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General description
乙腈-d3（CD3CN）是一种有机氘代化合物，是一种 α-氘代烷基腈。据报道，它由乙腈通过碱催化与氧化氘交换而合成。它的分子旋转摩擦系数是通过测量 2H 和 14N 核磁共振自旋-晶格弛豫时间测定的。已经使用光学克尔效应光谱研究了其在纳米多孔玻璃中的定向动力学。
Application
乙腈-d3 用作记录拉曼光谱的溶剂。
它可以用作：
它可以用作：
- IR 和 NMR 溶剂。
- 沸石酸度探针。
- HPLC-SPE（固相萃取）-NMR 技术中的柱洗脱液。
Other Notes
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
35.6 °F - closed cup
flash_point_c
2.00 °C - closed cup
法规信息
危险化学品
美国出口管控产品
此项目有
The lowest triplet state of 1, 3, 5-hexatrienes: Quantum chemical force field calculations and experimental resonance Raman spectra.
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The HPLC-SPE-NMR technique was used for the analysis of a root-bark extract of Croton membranaceus. The components of the extract were separated on an analytical-size reversed-phase HPLC column, the chromatographic peaks were trapped on SPE (solid-phase extraction) cartridges after post-column
Acetonitrile-d3 as a probe of Lewis and Broensted acidity of zeolites.
Pelmenschikov AG, et al.
The Journal of Physical Chemistry, 97(42), 11071-11074 (1993)
Proton polarizability caused by collective proton motion in intramolecular chains formed by two and three hydrogen bonds. Implications for charge conduction in bacteriorhodopsin.
Brzezinski B, et al.
The Journal of Physical Chemistry, 91(11), 3077-3080 (1987)
Organic deuterium compounds: XVI. Synthesis of α-deuterated alkyl nitriles.
Leitch LC.
Canadian Journal of Chemistry, 35(4), 345-347 (1957)
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