471399

Toluene-d₈

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

• Fórmula lineal: C₆D₅CD₃
• Número de CAS: 2037-26-5
• Peso molecular: 100.19
• Beilstein/REAXYS Number: 1909300
• EC Number: 218-009-5
• MDL number: MFCD00044638
• UNSPSC Code: 12142201
• PubChem Substance ID: 24870729
• NACRES: NA.21

Propiedades

• isotopic purity: 99 atom % D
• Quality Level: 100
• assay: ≥99.0%
• form: liquid
• contains: 0.03 % (v/v) TMS
• expl. lim.: 0.34-6.3 % (lit.)
• technique(s): NMR: suitable
• impurities: ≤0.0100% water; water
• refractive index: n20/D 1.494 (lit.)
• bp: 110 °C (lit.)
• mp: -84 °C (lit.)
• density: 0.943 g/mL at 25 °C (lit.)
• mass shift: M+8
• SMILES string: [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
• InChI key: YXFVVABEGXRONW-JGUCLWPXSA-N

Descripción

General description

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).

Biochem/physiol Actions

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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Información de seguridad

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H336,H361d,H373,H412
• pcodes: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 39.2 °F - closed cup
• flash_point_c: 4 °C - closed cup