236861
Acetonitrile-d3
99.8 atom % D
Synonym(s):
Methyl-d3 cyanide, Trideuteroacetonitrile
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About This Item
Linear Formula:
CD3CN
CAS Number:
Molecular Weight:
44.07
EC Number:
218-616-5
UNSPSC Code:
12142201
PubChem Substance ID:
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
expl. lim.
3.0-16 %
packaging
pk of 10 × 1 mL
technique(s)
NMR: suitable
impurities
≤0.0200% water
refractive index
n20/D 1.341 (lit.)
bp
80.7 °C (lit.)
mp
-46 °C
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
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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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Related Content
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)