425788
甲苯-d8
"100%", 99.96 atom % D
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关于此项目
线性分子式:
C6D5CD3
化学文摘社编号:
分子量:
100.19
EC Number:
218-009-5
UNSPSC Code:
12142201
PubChem Substance ID:
Beilstein/REAXYS Number:
1909300
MDL number:
Isotopic purity:
99.96 atom % D
Assay:
≥99.0%
Mass shift:
M+8
Form:
liquid
InChI key
YXFVVABEGXRONW-JGUCLWPXSA-N
InChI
1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
SMILES string
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])[2H]
isotopic purity
99.96 atom % D
assay
≥99.0%
form
liquid
expl. lim.
0.34-6.3 % (lit.)
packaging
pk of 10 × 1 mL
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
Quality Level
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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.
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
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
39.2 °F - closed cup
flash_point_c
4 °C - closed cup
法规信息
新产品
此项目有
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
Didier G Diomande et al.
Analytical chemistry, 87(13), 6600-6606 (2015-06-13)
The natural xanthines caffeine, theobromine, and theophylline are of major commercial importance as flavor constituents in coffee, cocoa, tea, and a number of other beverages. However, their exploitation for authenticity, a requirement in these commodities that have a large origin-based
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