176605

Chlorbenzol-d₅

99 atom % D

• Synonym(e): Pentadeuterochlorbenzol
• Empirische Formel (Hill-System): C₆D₅Cl
• CAS-Nummer: 3114-55-4
• Molekulargewicht: 117.59
• Beilstein: 1866335
• EG-Nummer: 221-482-0
• MDL-Nummer: MFCD00000531
• UNSPSC-Code: 12142201
• PubChem Substanz-ID: 24850589
• NACRES: NA.11

Eigenschaften

• Isotopenreinheit: 99 atom % D
• Qualitätsniveau: 200
• Assay: 99% (CP)
• Form: liquid
• Methode(n): GC/MS: suitable; NMR: suitable
• Brechungsindex: n20/D 1.522 (lit.)
• bp: 130-130.5 °C (lit.)
• Dichte: 1.157 g/mL at 25 °C (lit.)
• Massenverschiebung: M+5
• SMILES String: [2H]c1c([2H])c([2H])c(Cl)c([2H])c1[2H]
• InChI: 1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
• InChIKey: MVPPADPHJFYWMZ-RALIUCGRSA-N

Beschreibung

Allgemeine Beschreibung

Chlorobenzene-d₅ is a deuterated derivative of chlorobenzene having an isotopic purity of 99atom%D. ¹HNMR (Proton Nuclear Magnetic Resonance) and ²HNMR (Deuterium NMR) spectra of chlorobenzene-d₅ were studied in liquid crystal solvents to evaluate the quadrupolar coupling constants (DQCC) and the asymmetry parameters (η) for the deuterons. Values reported were as: DQCC^ortho = 180(2)kHz, η^ortho = 0.06(1), DQCC^meta = 174(2)kHz, η^meta = 0.09(3), DQCC^para= 182(4)kHz, η^Para = 0.06(4)].

Chlorobenzene-d₅ may be used as an internal standard for the high molecular weight and low volatility compounds in thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) analysis.

Anwendung

Packaged in ampules

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Sicherheitshinweise

• Piktogramme: GHS02,GHS07,GHS09
• Signalwort: Warning
• H-Sätze: H226,H315,H332,H411
• P-Sätze: P210 - P233 - P240 - P273 - P303 + P361 + P353 - P304 + P340 + P312
• Gefahreneinstufungen: Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 2
• Flammpunkt (°F): 75.2 °F - closed cup
• Flammpunkt (°C): 24.0 °C - closed cup