233323
Acetonitrile-d3
"100%", 99.96 atom % D
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:
99.96 atom % D
Assay:
99% (CP)
Mass shift:
M+3
Form:
liquid
Quality Segment
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
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 is (Trideuteroacetonitrile, CD3CN) is a deuterated form of acetonitrile. It is 100% isotopically enriched NMR (nuclear magnetic resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity.
Application
Acetonitrile-d3 used as a solvent:
- During the synthesis of 2- phenylindole to determined yield of the by NMR spectroscopy.
- For 1H NMR (proton nuclear magnetic resonance) spectral studies.
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
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