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570710

Toluene-d8

anhydrous, 99.6 atom % D

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50 G

$581.00

$581.00

Estimated to ship onJune 25, 2026Details

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About This Item

Linear Formula:
C6D5CD3
CAS Number:
2037-26-5
Molecular Weight:
100.19
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24880587
EC Number:
218-009-5
Beilstein/REAXYS Number:
1909300
MDL number:
MFCD00044638
Isotopic purity:
99.6 atom % D
Assay:
≥99.0%
Mass shift:
M+8

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InChI key

YXFVVABEGXRONW-JGUCLWPXSA-N

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D

SMILES string

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

grade

anhydrous

isotopic purity

99.6 atom % D

assay

≥99.0%

Quality Level

100

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.001% water
water

refractive index

n20/D 1.494 (lit.)

bp

110 °C (lit.)

mp

-84 °C (lit.)

density

0.943 g/mL at 25 °C (lit.)

mass shift

M+8

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This Item
CRM48593434388471399
Toluene-d8 anhydrous, 99.6 atom % D

Sigma-Aldrich

570710

Toluene-d8

Toluene-d8 solution certified reference material, TraceCERT®, 2000 μg/mL in methanol

Supelco

CRM48593

Toluene-d8 solution

Toluene-d8 99.6 atom % D

Sigma-Aldrich

434388

Toluene-d8

Toluene-d8 99 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

471399

Toluene-d8

isotopic purity

99.6 atom % D

isotopic purity

-

isotopic purity

99.6 atom % D

isotopic purity

99 atom % D

grade

anhydrous

grade

certified reference material, TraceCERT®

grade

-

grade

-

mass shift

M+8

mass shift

-

mass shift

M+8

mass shift

M+8

assay

≥99.0%

assay

-

assay

≥99% (CP)

assay

≥99.0%

technique(s)

NMR: suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

Quality Level

100

Quality Level

300

Quality Level

100

Quality Level

100

General description

Toluene-d8 is a deuterated NMR solvent. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. Its spin–lattice relaxation time (T 1), viscosity and density have been measured over -35 to 200°C range. The temperature dependent chemical shifts in the proton NMR spectra of α,β-unsaturated ketones in toluene-d8 has been studied.

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.

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

39.2 °F - closed cup

flash_point_c

4 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP5172
MKCN2780
MKCN2781
MKCN2782
MKCN2779

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Max Siebert et al.
The Journal of organic chemistry, 85(13), 8553-8562 (2020-06-09)
The acetate-initiated aliphatic isocyanate trimerization to isocyanurate was investigated by state-of-the-art analytical and computational methods. Although the common cyclotrimerization mechanism assumes the consecutive addition of three equivalents of isocyanate to acetate prior to product formation, we found that the underlying
Solvent Effects in Nuclear Magnetic Resonance Spectroscopy. IX. 1 A Variable-Temperature Study of α,β-Unsaturated Ketones in Toluene-d8 Solution.
Ronayne J, et al.
Journal of the American Chemical Society, 88(22), 5288-5292 (1966)
Fourier transform NMR in liquids at high pressure. III. Spin-lattice relaxation in toluene-d8.
Wilbur DJ and Jonas J.
J. Chem. Phys. , 62(7), 2800-2807 (1975)
Alex Abelson et al.
Nature materials, 19(1), 49-55 (2019-10-16)
Epitaxially fused colloidal quantum dot (QD) superlattices (epi-SLs) may enable a new class of semiconductors that combine the size-tunable photophysics of QDs with bulk-like electronic performance, but progress is hindered by a poor understanding of epi-SL formation and surface chemistry.
Freddy H Havaldar et al.
Journal of labelled compounds & radiopharmaceuticals, 58(4), 163-165 (2015-02-19)
A d4 -labeled isotopomer of deferasirox was synthesized as internal standard for use in a LC/mass spectroscopy (MS)/MS method developed for the simultaneous quantitative determination of deferasirox in human serum. d4 -deferasirox was synthesized from d8 -toluene.
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