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561509 Sigma-Aldrich

Benzene-d6

"100%", 99.96 atom % D, contains 0.03 % (v/v) TMS

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 24879953

  •  NACRES NA.21

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Properties

Related Categories Benzene-d6, NMR Solvents, NMR Solvents and Reagents, NMR Solvents containing an Internal Standard (TMS, TSP), Solvent by Application,
Quality Level   100
isotopic purity   99.96 atom % D
assay   ≥99.0%
contains   0.03 % (v/v) TMS
expl. lim.   0.34-6.3 % (lit.)
impurities   ≤0.0100% water
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 that contains 0.03% (v/v) TMS (tetramethylsilane). 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

10×0.75 mL in ampule

Safety & Documentation

Safety Information

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

Dispensette™ S
Protocols & Articles

Articles

HPLC Analysis of Benzene and Deuterated Benzene on Ascentis® Express C18

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Benzene and Deuterated Benzene on Ascentis® Express C18
Keywords: Chromatography, High performance liquid chromatography

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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