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Merck

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:
2206-26-0
Molecular Weight:
44.07
EC Number:
218-616-5
UNSPSC Code:
12142201
PubChem Substance ID:
24854195
Beilstein/REAXYS Number:
1740230
MDL number:
MFCD00001881
Isotopic purity:
99.8 atom % D
Assay:
99% (CP)
Mass shift:
M+3
Form:
liquid

Key Documents

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InChI key

WEVYAHXRMPXWCK-FIBGUPNXSA-N

InChI

1S/C2H3N/c1-2-3/h1H3/i1D3

SMILES string

[2H]C([2H])([2H])C#N

isotopic purity

99.8 atom % D

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

Quality Level

200

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pictograms

FlameExclamation mark
GHS02,GHS07

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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Certificates of Analysis (COA)

Lot/Batch Number
TA1719V
TA0660V
MKBD3180
IY0703
03630AH

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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)
Alejandro G Lichtscheidl et al.
Dalton transactions (Cambridge, England : 2003), 44(36), 16156-16163 (2015-08-22)
The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data ((1)H, (13)C{(1)H} and (119)Sn{(1)H}), for a series of Me3SnX (X = O-2,6-(t)Bu2C6H3 (), (Me3Sn)N(2,6-(i)Pr2C6H3) (), NH-2,4,6-(t)Bu3C6H2 (), N(SiMe3)2 (), NEt2, C5Me5 (), Cl, Br, I, and SnMe3) compounds in
Anne Warner et al.
Journal of pharmaceutical and biomedical analysis, 105, 46-54 (2014-12-22)
Stability-indicating reversed phase HPLC methods have been developed and validated for the determination of 13 potential process and degradation impurities in pemetrexed disodium drug substance (DS) and pemetrexed for injection drug product (DP). This paper describes the development of HPLC-UV

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