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151815

Benzene-D6

99.6 atom % D

Synonym(s):

Hexadeuterobenzene

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About This Item

Empirical Formula (Hill Notation):
C6D6
CAS Number:
1076-43-3
Molecular Weight:
84.15
UNSPSC Code:
12142201
NACRES:
NA.11
PubChem Substance ID:
24849165
EC Number:
214-061-8
Beilstein/REAXYS Number:
1905426
MDL number:
MFCD00003010
eCl@ss:
32129103
Isotopic purity:
99.6 atom % D
Assay:
≥99% (CP)
Mass shift:
M+6
Form:
liquid
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isotopic purity

99.6 atom % D

Quality Segment

assay

≥99% (CP)

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.01% water
water

refractive index

n20/D 1.497 (lit.)

bp

79.1 °C/760 mmHg (lit.)

mp

6.8 °C (lit.)

density

0.950 g/mL at 25 °C (lit.)

mass shift

M+6

SMILES string

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

InChI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

InChI key

UHOVQNZJYSORNB-MZWXYZOWSA-N

General description

Achieve sharper, morereliable nuclear magnetic resonance (NMR) spectra with our comprehensive rangeof deuterated solvents. Each solvent delivers exceptional chemical purity andthe 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 residualwater 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 matchthe exact requirements of your analysis. Available in a variety of safe,flexible formats - including glass bottles, glass ampules, serum bottles, andour exclusive moisture-protective Sure/Seal™ bottles - to suit every lab′s handling and storage needs.

Application

Deuterated solvents are indispensable whereverchemical research is carried out, supporting nuclear magnetic resonance (NMR)spectroscopy - the leading method for structural elucidation of organicmolecules. As a non-destructive, information-rich technique, NMR reveals atomicconnectivity within a molecule, its spatial orientation, and its motion in itsnatural environment, offering a comprehensive picture of molecular structureand 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

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

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Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1

Target Organs

Blood

Storage Class

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

12.2 °F - closed cup

Flash Point (°C)

-11 °C - closed cup

PPE (personal protective equipment)

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

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