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570710

Sigma-Aldrich

Toluene-d8

anhydrous, 99.6 atom % D

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About This Item

Formula condensata:
C6D5CD3
Numero CAS:
Peso molecolare:
100.19
Beilstein:
1909300
Numero CE:
Numero MDL:
Codice UNSPSC:
12142201
ID PubChem:
NACRES:
NA.21

Grado

anhydrous

Livello qualitativo

Purezza isotopica

99.6 atom % D

Saggio

≥99.0%

Forma fisica

liquid

Limite di esplosione

0.34-6.3 % (lit.)

tecniche

NMR: suitable

Impurezze

≤0.001% water
water

Indice di rifrazione

n20/D 1.494 (lit.)

P. eboll.

110 °C (lit.)

Punto di fusione

-84 °C (lit.)

Densità

0.943 g/mL at 25 °C (lit.)

Spostamento di massa

M+8

Stringa SMILE

[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
YXFVVABEGXRONW-JGUCLWPXSA-N

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Descrizione generale

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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Avvertenze

Danger

Classi di pericolo

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

Organi bersaglio

Central nervous system

Codice della classe di stoccaggio

3 - Flammable liquids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

39.2 °F - closed cup

Punto d’infiammabilità (°C)

4 °C - closed cup


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Sigma-Aldrich

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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)
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

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