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151998

Sigma-Aldrich

Toluene-d8

99 atom % D

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About This Item

Linear Formula:
C6D5CD3
CAS Number:
2037-26-5
Molecular Weight:
100.19
Beilstein:
1909300
EC Number:
218-009-5
MDL number:
MFCD00044638
UNSPSC Code:
12142201
PubChem Substance ID:
24849188
NACRES:
NA.21

isotopic purity

99 atom % D

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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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. 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.

Application

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

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accessory

Product No.
Description
Pricing

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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