569550
Acetonitrile-d3
≥99.8 atom % D, anhydrous
Synonym(s):
Methyl-d3 cyanide, Trideuteroacetonitrile
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About This Item
Linear Formula:
CD3CN
CAS Number:
Molecular Weight:
44.07
Beilstein/REAXYS Number:
1740230
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
MDL number:
Isotopic purity:
≥99.8 atom % D
Assay:
≥99% (CP)
Mass shift:
M+3
grade
anhydrous
Quality Level
isotopic purity
≥99.8 atom % D
assay
≥99% (CP)
expl. lim.
3.0-16 % (lit.)
technique(s)
NMR: suitable
impurities
>10 ppm 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
Application
Acetonitrile-d3 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
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Related Content
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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 569550-10X1ML | 04061837615580 |
| 569550-1ML | 04061837615597 |