434388
Toluene-d8
99.6 atom % D
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About This Item
Linear Formula:
C6D5CD3
CAS Number:
Molecular Weight:
100.19
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
218-009-5
Beilstein/REAXYS Number:
1909300
MDL number:
Isotopic purity:
99.6 atom % D
Assay:
≥99% (CP)
Mass shift:
M+8
Form:
liquid
isotopic purity
99.6 atom % D
Quality Level
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
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).
Other Notes
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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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Related Content
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.