175978

Benzène-d₆

99 atom % D

• Synonyme(s) : Hexadeuterobenzène
• Formule empirique (notation de Hill): C₆D₆
• Numéro CAS: 1076-43-3
• Poids moléculaire : 84.15
• Numéro Beilstein : 1905426
• Numéro CE : 214-061-8
• Numéro MDL: MFCD00003010
• Code UNSPSC : 12142201
• ID de substance PubChem : 24850541
• Nomenclature NACRES : NA.21

Propriétés

• Pureté isotopique: 99 atom % D
• Pureté: ≥99.00%
• Forme: liquid
• Limite d'explosivité: 0.34-6.3 % (lit.)
• Technique(s): NMR: suitable
• Impuretés: ≤0.0100% water; water
• Indice de réfraction: n20/D 1.497 (lit.)
• Point d'ébullition: 79.1 °C/760 mmHg (lit.)
• Pf: 6.8 °C (lit.)
• Densité: 0.950 g/mL at 25 °C (lit.)
• Changement de masse: M+6
• Chaîne SMILES: [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
• Clé InChI: UHOVQNZJYSORNB-MZWXYZOWSA-N

Description

Description générale

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).

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Informations sur la sécurité

• Pictogrammes: GHS02,GHS08,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225,H304,H315,H319,H340,H350,H372,H412
• Conseils de prudence: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Classification des risques: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• Organes cibles: Blood
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 12.2 °F - closed cup
• Point d'éclair (°C): -11 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter