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570710 Sigma-Aldrich

Toluene-d8

anhydrous, 99.6 atom % D

  • CAS Number 2037-26-5

  • Linear Formula C6D5CD3

  • Molecular Weight 100.19

  •  Beilstein/REAXYS Number 1909300

  •  EC Number 218-009-5

  •  MDL number MFCD00044638

  •  PubChem Substance ID 24880587

  •  NACRES NA.21

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Properties

Related Categories Anhydrous NMR Solvents, NMR Solvents, NMR Solvents and Reagents, Solvent by Type, Solvent by Application,
grade   anhydrous
isotopic purity   99.6 atom % D
assay   ≥99.0%
expl. lim.   0.34-6.3 % (lit.)
impurities   ≤0.001% 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
SMILES string   [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

Description

General description

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.

Packaging

50 g in glass bottle

Safety & Documentation

Safety Information

Signal word 
Danger
RIDADR 
UN1294 - class 3 - PG 2 - Toluene
WGK Germany 
2
Flash Point(F) 
39.2 °F
Flash Point(C) 
4 °C

Dispensette™ S
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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