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151815 Sigma-Aldrich

Benzene-d6

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 24849165

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Properties

Related Categories Alphabetical Listings, B, Benzene-d6, Common NMR Solvents, NMR Solvents,
Quality Level   100
isotopic purity   99.6 atom % D
assay   ≥99% (CP)
expl. lim.   0.34-6.3 % (lit.)
impurities   ≤0.01% 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 a deuterated derivative of benzene. It is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. 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. Benzene-d6 participates in the synthesis of isotopically labeled samples.

Application

Benzene-d6 may be used as a deuterated solvent for the 1H NMR studies of μ-methylene-bis(η5-cyclopentadienylcarbonylcobalt), a bridging methylene complex.

Packaging

10 g in ampule

10, 25, 50 g in glass bottle

10×0.75, 10×1 mL in ampule

100 g in Sure/Seal™

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

NMR Deuterated Solvent Properties Reference Chart

Use the chart below to look up the coupling values — JHD and JCD(JCF) distance between multiplet peaks in hertz (Hz) — and chemical shift delta values — ðH(Mult)b and ðc(Mult)b in parts per million (...
Keywords: Melting, Nuclear magnetic resonance spectroscopy, Solvents

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...

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Pressure-Temperature Nomograph Interactive Tool

Use the interactive controls above to simplify calculations and improve the efficiency of your distillation or evaporation requirements.
Keywords: Evaporation, Vaporization

Properties of Solvents Chart

The solvent property charta lists the physical properties of solvents like Acetone, Benzene and Acetic Acid in alphabetical order for easier referencing. Use the solvent chart in the lab to find comm...
Keywords: Green chemistry, Melting, Solvents

Solvent Miscibility Table

Miscibility defines how substances combine (or mix) to form a homogenous solution without precipitates. Miscibility most often refers to liquids but can also apply to gas and solid phases.
Keywords: Calorimetry, Materials Science, PAGE, Pharmaceutical, Semiconductor, Separation, Solvents, Spectroscopy

Peer-Reviewed Papers
15

References

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