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331511

1,2-Dichlorobenzene-d4

98 atom % D

Synonym(s):

Tetradeutero-1,2-dichlorobenzene

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About This Item

Linear Formula:
ClC6D4Cl
CAS Number:
2199-69-1
Molecular Weight:
151.03
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24859968
EC Number:
218-606-0
Beilstein/REAXYS Number:
1950096
MDL number:
MFCD00037106
eCl@ss:
32160701
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+4
Form:
liquid
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isotopic purity

98 atom % D

Quality Segment

assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.5509 (lit.)

bp

178-180 °C (lit.)

mp

-17 °C (lit.)

density

1.341 g/mL at 25 °C (lit.)

mass shift

M+4

SMILES string

[2H]c1c([2H])c([2H])c(Cl)c(Cl)c1[2H]

InChI

1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D

InChI key

RFFLAFLAYFXFSW-RHQRLBAQSA-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 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 trial.

Legal Information

ChemisTwin is a registered trademark of Merck KGaA, Darmstadt, Germany
Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point (°F)

150.8 °F - closed cup

Flash Point (°C)

66.0 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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