175870

Benzol-d₆

"100%", 99.96 atom % D

• Synonym(e): Deuteriertes Benzol
• Empirische Formel (Hill-System): C₆D₆
• CAS-Nummer: 1076-43-3
• Molekulargewicht: 84.15
• Beilstein: 1905426
• EG-Nummer: 214-061-8
• MDL-Nummer: MFCD00003010
• UNSPSC-Code: 12142201
• PubChem Substanz-ID: 24850534
• NACRES: NA.21

Eigenschaften

• Isotopenreinheit: 99.96 atom % D
• Assay: ≥99% (CP)
• Form: liquid
• Expl.-Gr.: 0.34-6.3 % (lit.)
• Methode(n): NMR: suitable
• Verunreinigungen: ≤0.0100% water; water
• Brechungsindex: n20/D 1.497 (lit.)
• bp: 79.1 °C/760 mmHg (lit.)
• mp (Schmelzpunkt): 6.8 °C (lit.)
• Dichte: 0.950 g/mL at 25 °C (lit.)
• Massenverschiebung: 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
• InChIKey: UHOVQNZJYSORNB-MZWXYZOWSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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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Sicherheitshinweise

• Piktogramme: GHS02,GHS08,GHS07
• Signalwort: Danger
• H-Sätze: H225,H304,H315,H319,H340,H350,H372,H412
• P-Sätze: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Gefahreneinstufungen: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• Zielorgane: Blood
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 3
• Flammpunkt (°F): 12.2 °F - closed cup
• Flammpunkt (°C): -11 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter