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175978

Benzène-D6

99 atom % D

Synonyme(s) :

Hexadeuterobenzène

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A propos de cet article

Formule empirique (notation de Hill) :
C6D6
Numéro CAS:
1076-43-3
Poids moléculaire :
84.15
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24850541
EC Number:
214-061-8
Beilstein/REAXYS Number:
1905426
MDL number:
MFCD00003010
Isotopic purity:
99 atom % D
Assay:
≥99.00%
Mass shift:
M+6
Form:
liquid
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isotopic purity

99 atom % D

Quality Segment

100

assay

≥99.00%

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

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

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.

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).


Other Notes

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Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1

target_organs

Blood

Classe de stockage

3 - Flammable liquids

wgk

WGK 3

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificats d'analyse (COA)

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