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Merck
CN

233382

Toluene-d8

"100%", 99.96 atom % D

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About This Item

Linear Formula:
C6D5CD3
CAS Number:
2037-26-5
Molecular Weight:
100.19
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24853973
EC Number:
218-009-5
Beilstein/REAXYS Number:
1909300
MDL number:
MFCD00044638

Key Documents

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Product Name

Toluene-d8, "100%", 99.96 atom % D

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% (CP)

form

liquid

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

Quality Level

100

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General description

Toluene-d8 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

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

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCL1456
MKCH3594
MKCG4210
MKBX1396V
MKBS2014V

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Synthesis and Visible-Light Photochromism of a Donor-Acceptor Type of Dimethyl 2, 3-bis (arylethynyl) fumarate.
Sakamoto R.
International Journal of Chemical Engineering and Applications, 7(1), 52-52 (2016)
Formation of deuterium atoms in the pyrolysis of toluene-d8 behind shock waves. Kinetics of the reaction C7D8+ H ? C7D7H + D
Rao VS and Skinner GB.
The Journal of Physical Chemistry, 88(94), 4362-4365 (1984)
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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