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151998

Toluene-d8

99 atom % D

Toluene-d8
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$150.00

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$295.00

50 G

$508.00

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About This Item

Linear Formula:
C6D5CD3
CAS Number:
Molecular Weight:
100.19
Beilstein/REAXYS Number:
1909300
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

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isotopic purity

99 atom % D

Quality Level

assay

≥99.00%

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.0100% 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

SMILES string

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

InChI

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

InChI key

YXFVVABEGXRONW-JGUCLWPXSA-N

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1 of 4

This Item
CRM48593233382471399
technique(s)

NMR: suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

isotopic purity

99 atom % D

isotopic purity

-

isotopic purity

99.96 atom % D

isotopic purity

99 atom % D

assay

≥99.00%

assay

-

assay

≥99% (CP)

assay

≥99.0%

mass shift

M+8

mass shift

-

mass shift

M+8

mass shift

M+8

Quality Level

100

Quality Level

300

Quality Level

100

Quality Level

100

form

liquid

form

-

form

liquid

form

liquid

General description

Toluene-d8 is a deuterated derivative of toluene. Pyrolytic decomposition of dilute mixtures (concentration range = 5-20ppm) of toluene-d8 in argon behind shock waves has been reported to afford various concentrations of hydrogen and deuterium atoms. This pyrolytic reaction was investigated by resonance absorption spectroscopy.[1] It participates as solvent in the time-course 1H-NMR (Proton Nuclear Magnetic Resonance) spectral evaluation of (E)-dimethyl 2-(ferrocenylethynyl)-3-(4-nitrophenylethynyl)fumarate, on irradiation with light at 546 and 578nm.[2]

Application

Toluene-d8 can be used as solvent to study the nuclear magnetic resonance spectra of the corresponding polymethylene block copolymers.[3]

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_germany

WGK 3

flash_point_f

39.2 °F - closed cup

flash_point_c

4 °C - closed cup


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Synthesis of Polymethylene Block Copolymers by the Polyhomologation of Organoboranes
Shea.JK, et al.
Macromolecules, 32, 3157-3158 (1999)
Synthesis and Visible-Light Photochromism of a Donor-Acceptor Type of Dimethyl 2, 3-bis (arylethynyl) fumarate.
Sakamoto R.
International Journal of Chemical Engineering and Applications, 7(1), 52-52 (2016)
Formation of deuterium atoms in the pyrolysis of toluene-d8 behind shock waves. Kinetics of the reaction C7D8+ H ? C7D7H + D
Rao VS and Skinner GB.
The Journal of Physical Chemistry, 88(94), 4362-4365 (1984)
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)
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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      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/418/501/product-dating-information-06-25-mk.pdf

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    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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