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Sigma-Aldrich

Toluene-d8

99.6 atom % D

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About This Item

Linear Formula:
C6D5CD3
CAS Number:
2037-26-5
Molecular Weight:
100.19
Beilstein/REAXYS Number:
1909300
EC Number:
218-009-5
MDL number:
MFCD00044638
UNSPSC Code:
12142201
PubChem Substance ID:
24867193
NACRES:
NA.21

isotopic purity

99.6 atom % D

Quality Level

100

assay

≥99% (CP)

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤100 ppm 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 NMR solvent useful in NMR-based research and analyses. 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.

Application


  • Improved Miniaturized Linear Ion Trap Mass Spectrometer: Utilizes Toluene-d₈ in lithographically patterned plates to enhance the ejection efficiency and resolution of mass spectrometry. This advancement in analytical technology significantly improves the detection of complex molecular structures, crucial for pharmaceutical and biochemical research (Tian Y et al., 2018).

  • Structure-function relationships in high-density docosylsilane bonded stationary phases: Employs Toluene-d₈ to elucidate the effects of common solvents on stationary phase structures by Raman spectroscopy. This research enhances understanding of chromatographic behaviors, influencing the development of more effective and robust chromatographic systems for environmental and material science applications (Liao Z et al., 2008).

  • Characterization of Pore Structure in a Nanoporous Low-dielectric-constant Thin Film: Toluene-d₈ is used in neutron and X-ray porosimetry to characterize the porous structure of innovative low-dielectric materials. This application is critical in the development of advanced electronic materials, promoting enhanced performance and miniaturization of electronic devices (Hedden RC et al., 2004).

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accessory

Product No.
Description
Pricing

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

flash_point_c

4 °C

Certificates of Analysis (COA)

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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.
Xiaoyong Lu et al.
Molecules (Basel, Switzerland), 19(9), 14292-14303 (2014-09-13)
Gated molecular encapsulations, with baskets of type 1, are postulated to occur by the mechanism in which solvent molecule penetrates the inner space of 1, through one of its apertures, while the residing guest simultaneously departs the cavity. In the
Alejandro G Lichtscheidl et al.
Dalton transactions (Cambridge, England : 2003), 44(36), 16156-16163 (2015-08-22)
The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data ((1)H, (13)C{(1)H} and (119)Sn{(1)H}), for a series of Me3SnX (X = O-2,6-(t)Bu2C6H3 (), (Me3Sn)N(2,6-(i)Pr2C6H3) (), NH-2,4,6-(t)Bu3C6H2 (), N(SiMe3)2 (), NEt2, C5Me5 (), Cl, Br, I, and SnMe3) compounds in
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NMR Deuterated Solvent Properties Reference Chart

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