471399

Sigma-Aldrich

Toluene-d8

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

Fórmula lineal:
C6D5CD3
Número de CAS:
Peso molecular:
100.19
Beilstein/REAXYS Number:
1909300
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

isotopic purity

99 atom % D

assay

≥99.0%

form

liquid

contains

0.03 % (v/v) TMS

expl. lim.

0.34-6.3 % (lit.)

application(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 non polar, aromatic solvent.
Toluene-d8 is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. 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.

Packaging

5 g in ampule
25 g in glass bottle

Biochem/physiol Actions

Toluene-d8 is used in the determination of magnitude of magnetic interactions, hydrogen bond geometry and its association with solvent polarity. Toluene is highly biotoxic and lethal for microorganisms, therefore can be used as a sterilant.

signalword

Danger

hazcat

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

Target Organs

Central nervous system

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 3

Flash Point F

39.2 °F

Flash Point C

4 °C

Certificado de Análisis

Certificado de origen

Geometry of hydrogen bonds formed by lipid bilayer nitroxide probes: a high-frequency pulsed ENDOR/EPR study
Smirnova TI, et al.
Journal of the American Chemical Society, 129(12), 3476-3477 (2007)
A Pseudomonas thrives in high concentrations of toluene
Inoue A and Horikoshi K
Nature, 339, 264-264 (1989)
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)
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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