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Merck

570710

Sigma-Aldrich

甲苯-d8

anhydrous, 99.6 atom % D

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About This Item

线性分子式:
C6D5CD3
CAS号:
分子量:
100.19
Beilstein:
1909300
EC號碼:
MDL號碼:
分類程式碼代碼:
12142201
PubChem物質ID:
NACRES:
NA.21

等級

anhydrous

同位素純度

99.6 atom % D

化驗

≥99.0%

形狀

liquid

expl. lim.

0.34-6.3 % (lit.)

技術

NMR: suitable

雜質

≤0.001% water
water

折射率

n20/D 1.494 (lit.)

bp

110 °C (lit.)

mp

-84 °C (lit.)

密度

0.943 g/mL at 25 °C (lit.)

質量偏移

M+8

SMILES 字串

[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 密鑰

YXFVVABEGXRONW-JGUCLWPXSA-N

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一般說明

Toluene-d8 is a deuterated NMR solvent. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. 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.

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訊號詞

Danger

危險分類

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

標靶器官

Central nervous system

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

39.2 °F - closed cup

閃點(°C)

4 °C - closed cup


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Max Siebert et al.
The Journal of organic chemistry, 85(13), 8553-8562 (2020-06-09)
The acetate-initiated aliphatic isocyanate trimerization to isocyanurate was investigated by state-of-the-art analytical and computational methods. Although the common cyclotrimerization mechanism assumes the consecutive addition of three equivalents of isocyanate to acetate prior to product formation, we found that the underlying
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)
Alex Abelson et al.
Nature materials, 19(1), 49-55 (2019-10-16)
Epitaxially fused colloidal quantum dot (QD) superlattices (epi-SLs) may enable a new class of semiconductors that combine the size-tunable photophysics of QDs with bulk-like electronic performance, but progress is hindered by a poor understanding of epi-SL formation and surface chemistry.
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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