175870

Benzène-d₆

"100%", 99.96 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 : 24850534
• Nomenclature NACRES : NA.21

Propriétés

• Pureté isotopique: 99.96 atom % D
• Pureté: ≥99% (CP)
• 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. It is 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. 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

Benzene-d₆ may be used as a ¹H and ¹³C-NMR solvent. It may also be used for the synthesis of isotopically labeled samples and for the internal calibration of benzene stock solution during headspace-solid-phase microextraction.

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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