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570680 Sigma-Aldrich

Benzene-d6

anhydrous, ≥99.6 atom % D

Synonym: Hexadeuterobenzene

  • CAS Number 1076-43-3

  • Empirical Formula (Hill Notation) C6D6

  • Molecular Weight 84.15

  •  Beilstein/REAXYS Number 1905426

  •  EC Number 214-061-8

  •  MDL number MFCD00003010

  •  PubChem Substance ID 24880585

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Properties

Related Categories Anhydrous NMR Solvents, Benzene-d6, NMR Solvents, NMR Solvents and Reagents, Solvent by Application,
Quality Level   100
grade   anhydrous
isotopic purity   ≥99.6 atom % D
assay   ≥99.0%
expl. lim.   0.34-6.3 % (lit.)
impurities   <10 ppm water
refractive index   n20/D 1.497 (lit.)
bp   79.1 °C/760 mmHg (lit.)
mp   6.8 °C (lit.)
density   0.950 g/mL at 25 °C (lit.)
mass shift   M+6
SMILES string   [2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI   1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key   UHOVQNZJYSORNB-MZWXYZOWSA-N

Description

General description

Benzene-d6 (C6D6) is deuterated benzene. 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 Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,13C NMR, IR and MS spectra have been reported.

Application

Benzene-d6 (C6D6) may be used in the following:
• Synthesis of isotopically labeled samples.
• As a 1H and 13C-NMR solvent.
• In the internal calibration of benzene stock solution.

Packaging

50 g in glass bottle

Safety & Documentation

Safety Information

Signal word 
Danger-Danger
RIDADR 
UN1114 - class 3 - PG 2 - Benzene
WGK Germany 
WGK 3
Flash Point(F) 
12.2 °F - closed cup
Flash Point(C) 
-11 °C - closed cup

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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