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151807

Acetonitrile-d₃

Name: Acetonitrile-d<SUB>3</SUB>
Brand: ALDRICH

≥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

UNSPSC Code:

12142201

NACRES:

NA.21

PubChem Substance ID:

24848856

EC Number:

218-616-5

Beilstein/REAXYS Number:

1740230

MDL number:

MFCD00001881

Isotopic purity:

≥99.8 atom % D

Assay:

≥99% (CP)

Mass shift:

M+3

Form:

liquid

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Properties

isotopic purity

≥99.8 atom % D

Quality Level

200

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

Description

General description

Acetonitrile-d₃(Trideuteroacetonitrile, CD₃CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T₁) for ¹⁴N and ²D of CD₃CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for ¹H NMR (Proton Nuclear Magnetic Resonance) and ¹³C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.

Application

Acetonitrile-d₃ has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy.

Other Notes

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pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H302 + H312 + H332,H319

pcodes

P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338

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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Articles

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

Global Trade Item Number

SKU	GTIN
TMT00672-1G	04061825180427
151807-10G-GL	04061838739506
151807-10X1ML	04061837613081
151807-10X25G-N	04061837648809
151807-500G-N	04061837648823
151807-5X10G-N	04061837648830
151807-10X0.75ML	04061838739520
151807-100G	04061838739483
151807-10G-AMP	04061838739490
151807-10X0.6ML	04061838739513
151807-10X1G-N	04061837613074
151807-10X50G-N	04061837648816
151807-25G	04061838739537
151807-50G	04061838739544
151807-5G	04061838739551

Key Documents

Acetonitrile-d3

≥99.8 atom % D

Select a Size

About This Item

isotopic purity

Quality Level

assay

form

expl. lim.

technique(s)

impurities

refractive index

bp

mp

density

mass shift

SMILES string

InChI

InChI key

General description

Application

Other Notes

Still not finding the right product?

Safety Information

pictograms

signalword

hcodes

pcodes

Hazard Classifications

Storage Class

wgk

flash_point_f

flash_point_c

Documentation

Certificates of Analysis (COA)

Already Own This Product?

Protocols and Articles

Articles

Related Content

Peer Reviewed Papers

Global Trade Item Number

Acetonitrile-d₃