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Merck
CN

569542

Sigma-Aldrich

甲苯-d8

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About This Item

线性分子式:
C6D5CD3
CAS号:
分子量:
100.19
Beilstein:
1909300
EC 号:
MDL编号:
UNSPSC代码:
12142201
PubChem化学物质编号:

同位素纯度

99.55 atom % D (minimum)

质量水平

方案

≥99.0%

表单

liquid

expl. lim.

0.34-6.3 % (lit.)

技术

NMR: suitable

杂质

≤0.001% water
water

折射率

n20/D 1.494 (lit.)

沸点

110 °C (lit.)

mp

-84 °C (lit.)

密度

0.943 g/mL at 25 °C (lit.)

质量偏移

M+8

SMILES字符串

[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 key

YXFVVABEGXRONW-JGUCLWPXSA-N

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一般描述

Toluene-d8 is a deuterated NMR solvent 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.

警示用语:

Danger

危险分类

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

靶器官

Central nervous system

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

39.2 °F - closed cup

闪点(°C)

4 °C - closed cup

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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
Alejandro G Lichtscheidl et al.
Dalton transactions (Cambridge, England : 2003), 44(36), 16156-16163 (2015-08-22)
The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data ((1)H, (13)C{(1)H} and (119)Sn{(1)H}), for a series of Me3SnX (X = O-2,6-(t)Bu2C6H3 (), (Me3Sn)N(2,6-(i)Pr2C6H3) (), NH-2,4,6-(t)Bu3C6H2 (), N(SiMe3)2 (), NEt2, C5Me5 (), Cl, Br, I, and SnMe3) compounds in

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