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Merck
CN

233315

Acetic acid-d4

≥99.9 atom % D

Synonym(s):

Acetic-d3 acid-d, Tetradeuteroacetic acid

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About This Item

Linear Formula:
CD3CO2D
CAS Number:
Molecular Weight:
64.08
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
214-693-4
Beilstein/REAXYS Number:
1748971
MDL number:
Assay:
≥99% (CP)
Form:
liquid
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vapor density

2.07 (vs air)

Quality Segment

vapor pressure

11.4 mmHg ( 20 °C)

isotopic purity

≥99.9 atom % D

assay

≥99% (CP)

form

liquid

autoignition temp.

800 °F

expl. lim.

16 %

technique(s)

NMR: suitable

impurities

≤0.0500% water
water

refractive index

n20/D 1.368 (lit.)

bp

115.5 °C (lit.)

mp

15-16 °C (lit.)

density

1.119 g/mL at 25 °C (lit.)

mass shift

M+4

SMILES string

[2H]OC(=O)C([2H])([2H])[2H]

InChI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD

InChI key

QTBSBXVTEAMEQO-GUEYOVJQSA-N

General description

Achieve sharper, more reliable nuclear magnetic resonance (NMR) spectra with our comprehensive range of deuterated solvents. Each solvent delivers exceptional chemical purity and the highest isotopic enrichment, ensuring a stable deuterium lock signal, minimal residual proton signal interference, and a reliable chemical shift reference for every experiment.


Ultra-low residual water content - verified by both Karl Fischer titration and NMR methods - supports moisture-sensitive applications, while rigorous batch-to-batch quality control delivers consistent, reproducible performance you can trust in research and quality control laboratories.


Our portfolio spans the most widely used NMR solvents available in multiple deuteration levels and purity grades to match the exact requirements of your analysis. Available in a variety of safe, flexible formats - including glass bottles, glass ampules, serum bottles, and our exclusive moisture-protective [ TM=”Sure/Seal“] bottles - to suit every lab′s handling and storage needs.

Application

Deuterated solvents are indispensable wherever chemical research is carried out, supporting nuclear magnetic resonance (NMR) spectroscopy - the leading method for structural elucidation of organic molecules. As a non-destructive, information-rich technique, NMR reveals atomic connectivity within a molecule, its spatial orientation, and its motion in its natural environment, offering a comprehensive picture of molecular structure and dynamics.

Other Notes

Check out  ”ChemisTwin” , our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more  or reach out to us for a free trail .


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Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Codes

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1A

Storage Class

3 - Flammable liquids

WGK

WGK 1

Flash Point (°F)

104.0 °F - closed cup

Flash Point (°C)

40 °C - closed cup

PPE (personal protective equipment)

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter



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