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175870 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 Registry Number 1905426

  •  EC Number 214-061-8

  •  MDL number MFCD00003010

  •  PubChem Substance ID 24850534

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Properties

Related Categories Alphabetical Listings, B, Benzene-d6, NMR Solvents, NMR Solvents and Reagents,
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

Packaging

10×0.5, 10×1 mL in ampule

25 g in glass bottle

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.

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.

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

Stable Isotope
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...

Related Content

Pressure-Temperature Nomograph Interactive Tool

The Pressure-Temperature Nomograph tool is an application of the Clausius-Clapeyron Equation, which assumes the heat of vaporization is a constant over a pressure range. Antoine´s Equation gets aroun...
Keywords: Evaporation, Vaporization

Properties of Solvents Table

a. Gant, R., LC/GC 10 (7), 515 (1992) 1. At 20 °C 2. At 20 °C +/- 5 °C relative to water at 4 °C 3. At 10 mmHg pressure 4. At l=589.32 nm
Keywords: Gas chromatography, High performance liquid chromatography

Peer-Reviewed Papers
15

References

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43917 SnapIT Ampule Opener, large, for 5-10ml, 10-15ml, 20-25ml ampoules

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