471399

Toluène-d₈

99 atom % D, contains 0.03 % (v/v) TMS

• Formule linéaire : C₆D₅CD₃
• Numéro CAS: 2037-26-5
• Poids moléculaire : 100.19
• Numéro Beilstein : 1909300
• Numéro CE : 218-009-5
• Numéro MDL: MFCD00044638
• Code UNSPSC : 12142201
• ID de substance PubChem : 24870729
• Nomenclature NACRES : NA.21

Propriétés

• Pureté isotopique: 99 atom % D
• Pureté: ≥99.0%
• Forme: liquid
• Contient: 0.03 % (v/v) TMS
• Limite d'explosivité: 0.34-6.3 % (lit.)
• Technique(s): NMR: suitable
• Impuretés: ≤0.0100% water; water
• Indice de réfraction: n20/D 1.494 (lit.)
• Point d'ébullition: 110 °C (lit.)
• Pf: -84 °C (lit.)
• Densité: 0.943 g/mL at 25 °C (lit.)
• Changement de masse: M+8
• Chaîne SMILES: [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])[2H]
• InChI: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
• Clé InChI: YXFVVABEGXRONW-JGUCLWPXSA-N

Description

Description générale

Toluene-d8 is a non polar, aromatic solvent.

Toluene-d₈ is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its spin–lattice relaxation time (T ₁), viscosity and density have been measured over -35 to 200°C range. The temperature dependent chemical shifts in the proton NMR spectra of α,β-unsaturated ketones in toluene-d₈ has been studied.

Application

• Organic aerosol mixing observed by single-particle mass spectrometry.: The study focuses on the dynamics of organic aerosols, utilizing advanced spectrometric techniques to analyze the interaction and transformation of airborne organic compounds such as Toluene-d₈ (Robinson et al., 2013).

Actions biochimiques/physiologiques

Toluene-d8 is used in the determination of magnitude of magnetic interactions, hydrogen bond geometry and its association with solvent polarity. Toluene is highly biotoxic and lethal for microorganisms, therefore can be used as a sterilant.

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Informations sur la sécurité

• Pictogrammes: GHS02,GHS08,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225,H304,H315,H336,H361d,H373,H412
• Conseils de prudence: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Classification des risques: Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3
• Organes cibles: Central nervous system
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 39.2 °F - closed cup
• Point d'éclair (°C): 4 °C - closed cup