233323
乙腈-D3
"100%", 99.96 atom % D
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:
产品名称
乙腈-D3, "100%", 99.96 atom % D
InChI key
WEVYAHXRMPXWCK-FIBGUPNXSA-N
InChI
1S/C2H3N/c1-2-3/h1H3/i1D3
SMILES string
[2H]C([2H])([2H])C#N
isotopic purity
99.96 atom % D
assay
99% (CP)
form
liquid
expl. lim.
3.0-16 % (lit.)
technique(s)
NMR: suitable
impurities
≤0.0200% 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
Quality Level
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Application
乙腈-d3 可用作以下反应的溶剂:
- 在2-苯基吲哚的合成中用于通过NMR波谱法测定其得率。
- 用于1H NMR (质子核磁共振) 波谱研究。
General description
乙腈-d3 （三氘乙腈，CD3CN）是一种氘代形式的乙腈。它是 100％ 同位素富集的 NMR（核磁共振）溶剂。由于化学和同位素纯度高，它被广泛用于高分辨率 NMR 研究。
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
美国出口管控产品
危险化学品
此项目有
Bryan J Leong et al.
Plant physiology, 183(3), 915-924 (2020-05-02)
Plants make many biologically active, specialized metabolites, which vary in structure, biosynthesis, and the processes they influence. An increasing number of these compounds are documented to protect plants from insects, pathogens, or herbivores or to mediate interactions with beneficial organisms
Márk Szabó et al.
Chirality, 32(4), 446-456 (2020-02-08)
Dirhodium complexes bearing N-substituted chiral amino acid ligands are investigated. These complexes have an unusual twisted paddlewheel structure, showing inherent chirality. We would like to demonstrate that parallel application of chiroptical spectroscopic methods (ECD and VCD) and NMR spectroscopy combined
Magnetic Resonance Studies of Anisotropic Molecular Rotation in Liquid Acetonitrile-d3.
Bopp TT.
J. Chem. Phys. , 47(9), 3621-3626 (1967)
[Cp*IrCl2]2-catalysed cyclization of 2-alkynylanilines into indoles.
Kumaran E and Leong WK.
Tetrahedron Letters, 55(40), 5495-5498 (2014)
Pressure dependencies of rotational, translational, and viscous friction coefficients in water-d2, acetonitrile-d3, acetonitrile, chloroform, and benzene.
Wakai C and Nakahara M.
J. Chem. Phys. , 100(11), 8347-8358 (1994)
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