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570702

Sigma-Aldrich

Acetonitrile-d3

anhydrous, 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
Beilstein/REAXYS Number:
1740230
MDL number:
MFCD00001881
UNSPSC Code:
12142201
PubChem Substance ID:
329758268

grade

anhydrous

isotopic purity

99.8 atom % D

assay

≥99.0%

expl. lim.

3.0-16 % (lit.)

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

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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_germany

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
14625CA
17628HA

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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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