471399
Toluene-d8
99 atom % D, contains 0.03 % (v/v) TMS
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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 atom % D
Assay:
≥99.0%
Mass shift:
M+8
Form:
liquid
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.)
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
General description
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.
Toluene-d8 is a non polar, aromatic solvent.
Application
- Organic aerosol mixing observed by single-particle mass spectrometry.: The study focuses on the dynamics of organic aerosols, utilizing advanced spectrometric techniques to analyze the interaction and transformation of airborne organic compounds such as Toluene-d₈ (Robinson et al., 2013).
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.
Other Notes
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signalword
Danger
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - 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
Regulatory Information
危险化学品
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Related Content
A Pseudomonas thrives in high concentrations of toluene
Inoue A and Horikoshi K
Nature, 339, 264-264 (1989)
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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 471399-5G | 04061832359977 |
| 471399-25G | 04061837657702 |