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Benzene-D6

ALDRICH/175978 - 99 atom % D

Synonym: Hexadeuterobenzene

CAS Number: 1076-43-3
Empirical Formula (Hill Notation): C6D6
Molecular Weight: 84.15
EC Number: 214-061-8
MDL Number: MFCD00003010
Linear Formula: C6D6
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-175978-10G 10 g
 $0.00
1/EA
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45-175978-50G 50 g
 $285.00
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assay ≥99.00%
bp 79.1 °C/760 mmHg (lit.)
density 0.950 g/mL at 25 °C (lit.)
expl. lim. 0.34-6.3 % (lit.)
form liquid
impurities ≤0.0100% water
water
InChI 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key UHOVQNZJYSORNB-MZWXYZOWSA-N
isotopic purity 99 atom % D
mass shift M+6
mp 6.8 °C (lit.)
Quality Level 100 
refractive index n20/D 1.497 (lit.)
SMILES string [2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
technique(s) NMR: suitable
Application:

  • 2H NMR study of dynamics of benzene-d6 interacting with humic and fulvic acids.: This study examines the interactions of benzene-d6 with humic and fulvic acids using deuterium NMR, highlighting the compound′s utility in probing the structure and dynamics of natural organic matter in environmental contexts (Nanny et al., 2011 ).


  • Separation of benzene and deuterated benzenes by reversed-phase and recycle liquid chromatography using monolithic capillary columns.: This research demonstrates the effective separation of benzene-d6 from its isotopologues using advanced chromatographic techniques, contributing to methodologies in analytical chemistry for precise isotopic analysis (Lim et al., 2004 ).


  • Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of aromatic compounds.: The interaction of benzene-d6 with various stationary phases is analyzed, providing insights into the molecular interactions that influence chromatographic separations (Liao & Pemberton, 2008 ).


  • Reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide: experimental evidence for an HX-reductive-elimination pathway.: This study uses benzene-d6 in experimental setups to elucidate mechanisms of oxygen interaction with Pd(II)-hydride complexes, significant in catalytic oxidation processes (Konnick & Stahl, 2008 ).


  • Quantitative analysis of benzene by selected ion monitoring/gas chromatography/mass spectrometry.: Benzene-d6 is used as an internal standard to develop a highly precise method for quantifying benzene, crucial for environmental monitoring and industrial hygiene (Gruenke et al., 1986 ).
General description: Benzene-d6 (C6D6) is a deuterated derivative of benzene. 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.
Other Notes: Check out ChemisTwin® , our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more  or reach out to us for a free trial .
Packaging: 10 g in ampule
Packaging: 50 g in glass bottle
Purity ≥99.00%
bp 79.1 °C/760 mmHg (lit.)
mp 6.8 °C (lit.)
Density 0.950 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.497 (lit.)
UNSPSC 12142201

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