366544
Acetonitrile-d3
99.8 atom % D, contains 0.03 % (v/v) TMS
Synonym(s):
Methyl-d3 cyanide, Trideuteroacetonitrile
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About This Item
Linear Formula:
CD3CN
CAS Number:
Molecular Weight:
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
isotopic purity
99.8 atom % D
Quality Level
assay
99% (CP)
form
liquid
contains
0.03 % (v/v) TMS
expl. lim.
3.0-16 % (lit.)
technique(s)
NMR: suitable
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
SMILES string
[2H]C([2H])([2H])C#N
InChI
1S/C2H3N/c1-2-3/h1H3/i1D3
InChI key
WEVYAHXRMPXWCK-FIBGUPNXSA-N
General description
Acetonitrile-d3 (CD3CN), an organo deutero compound, is an α-deuterated alkyl nitrile. Its synthesis from acetonitrile by base-catalyzed exchange with deuterium oxide has been reported. Its molecular rotational friction coefficient has been determined by measuring 2H and 14N nuclear magnetic resonance spin–lattice relaxation times. Its orientational dynamics in nanoporous glasses has been studied using optical Kerr effect spectroscopy.
Application
Acetonitrile-d3 was used as a solvent to record Raman spectrum.
It may be used as:
It may be used as:
- IR and NMR solvent.
- Probe for zeolite acidity.
- Cartridge eluent in HPLC- SPE (solid-phase extraction)-NMR technique.
Other Notes
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signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
35.6 °F - closed cup
flash_point_c
2.00 °C - closed cup
Regulatory Information
危险化学品
美国出口管控产品
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 366544-10X25G-N | 04061837649448 |
| 366544-25G | 04061831826265 |
| 366544-50G | 04061831826302 |
| 366544-10X0.6ML | 04061831826258 |
| 366544-5G | 04061831826319 |
| 366544-5X10G-N | 04061833636855 |