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Key Documents

175978

Sigma-Aldrich

Benzene-D6

99 atom % D

Sinonimo/i:

Hexadeuterobenzene

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About This Item

Formula empirica (notazione di Hill):
C6D6
Numero CAS:
Peso molecolare:
84.15
Beilstein:
1905426
Numero CE:
Numero MDL:
Codice UNSPSC:
12142201
ID PubChem:
NACRES:
NA.21

Purezza isotopica

99 atom % D

Saggio

≥99.00%

Forma fisica

liquid

Limite di esplosione

0.34-6.3 % (lit.)

tecniche

NMR: suitable

Impurezze

≤0.0100% water
water

Indice di rifrazione

n20/D 1.497 (lit.)

P. eboll.

79.1 °C/760 mmHg (lit.)

Punto di fusione

6.8 °C (lit.)

Densità

0.950 g/mL at 25 °C (lit.)

Spostamento di massa

M+6

Stringa SMILE

[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
UHOVQNZJYSORNB-MZWXYZOWSA-N

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Descrizione generale

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.

Applicazioni


  • 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).


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Accessorio

N° Catalogo
Descrizione
Determinazione del prezzo

Avvertenze

Danger

Classi di pericolo

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

Organi bersaglio

Blood

Codice della classe di stoccaggio

3 - Flammable liquids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

12.2 °F - closed cup

Punto d’infiammabilità (°C)

-11 °C - closed cup

Dispositivi di protezione individuale

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


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Resonance Raman scattering of benzene and benzene-d6 with 212.8 nm excitation.
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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.
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The conformational distribution in diphenylmethane determined by nuclear magnetic resonance spectroscopy of a sample dissolved in a nematic liquid crystalline solvent.
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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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