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175870 Sigma-Aldrich

Benzene-d6

"100%", 99.96 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 24850534

  •  NACRES NA.21

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Properties

Related Categories Alphabetical Listings, B, Benzene-d6, NMR Solvents, NMR Solvents and Reagents,
Quality Level   100
InChI Key   UHOVQNZJYSORNB-MZWXYZOWSA-N
isotopic purity   99.96 atom % D
assay   ≥99% (CP)
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

Description

General description

Benzene-d6 (C6D6) is a deuterated derivative of benzene. It is 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Its Soret coefficient S(T) has been measured by the transient holographic grating technique. Its first resonance Raman spectrum and infrared absorption intensities (in the range of 5000-450cm-1) have been reported. It participates in the synthesis of isotopically labeled samples.

Application

Benzene-d6 may be used as a 1H and 13C-NMR solvent. It may also be used for the synthesis of isotopically labeled samples and for the internal calibration of benzene stock solution during headspace-solid-phase microextraction.

Packaging

10×0.5, 10×1 mL in ampule

25 g in glass bottle

Safety & Documentation

Safety Information

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

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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