175978
Benceno-D6
99 atom % D
Sinónimos:
Hexadeuterobenceno
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Fórmula empírica (notación de Hill):
C6D6
Número CAS:
Peso molecular:
84.15
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
214-061-8
Beilstein/REAXYS Number:
1905426
MDL number:
Isotopic purity:
99 atom % D
Assay:
≥99.00%
Mass shift:
M+6
Form:
liquid
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Permítanos ayudarleInChI key
UHOVQNZJYSORNB-MZWXYZOWSA-N
InChI
1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
SMILES string
[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
isotopic purity
99 atom % D
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
Quality Level
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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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signalword
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
Clase de almacenamiento
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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Eun Mi Kim et al.
Food chemistry, 293, 278-284 (2019-06-04)
A headspace sampling-gas chromatography/mass spectrometry (HS-GC/MS) method using mild HS conditions (40 °C, 30 min) was established, validated in terms of specificity, linearity (1.75-87.65 ng mL-1), precision (0.3-9.1% RSD), and accuracy (81.1-117.7%); and applied for the monitoring of 900 commercial beverage samples of six
Resonance Raman scattering of benzene and benzene-d6 with 212.8 nm excitation.
Ziegler LD and Hudson B.
J. Chem. Phys. , 74(2), 982-992 (1981)
Infrared intensities of liquids XXII: Optical and dielectric constants, molar polarizabilities, and integrated intensities of liquid benzene-d6 at 25?C between 5000 and 450 cm-1.
Bertie JE and Keefe CD.
Fresenius Journal of Analytical Chemistry, 362(1), 91-108 (1998)
The conformational distribution in diphenylmethane determined by nuclear magnetic resonance spectroscopy of a sample dissolved in a nematic liquid crystalline solvent.
Celebre G, et al.
J. Chem. Phys., 118(14), 6417-6426 (2003)
G Wittko et al.
The Journal of chemical physics, 123(1), 014506-014506 (2005-07-23)
The Soret coefficients S(T) of the liquids acetone, benzene, benzene-d1, 1,3,5-benzene-d3, benzene-d5, benzene-13C6, benzene-d6, n-hexane, toluene, 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and 1,6-dibromohexane have been measured in protonated and perdeuterated cyclohexane by a transient holographic grating technique. It has been found that S(T)
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