434388

Toluene-d₈

99.6 atom % D

• Linear Formula: C₆D₅CD₃
• CAS Number: 2037-26-5
• Molecular Weight: 100.19
• Beilstein/REAXYS Number: 1909300
• EC Number: 218-009-5
• MDL number: MFCD00044638
• UNSPSC Code: 12142201
• PubChem Substance ID: 24867193
• NACRES: NA.21

Properties

• isotopic purity: 99.6 atom % D
• Quality Level: 100
• assay: ≥99% (CP)
• form: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• technique(s): NMR: suitable
• impurities: ≤100 ppm 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

Description

General description

Toluene-d₈ is a deuterated NMR solvent useful in NMR-based research and analyses. 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

• Improved Miniaturized Linear Ion Trap Mass Spectrometer: Utilizes Toluene-d₈ in lithographically patterned plates to enhance the ejection efficiency and resolution of mass spectrometry. This advancement in analytical technology significantly improves the detection of complex molecular structures, crucial for pharmaceutical and biochemical research (Tian Y et al., 2018).


• Structure-function relationships in high-density docosylsilane bonded stationary phases: Employs Toluene-d₈ to elucidate the effects of common solvents on stationary phase structures by Raman spectroscopy. This research enhances understanding of chromatographic behaviors, influencing the development of more effective and robust chromatographic systems for environmental and material science applications (Liao Z et al., 2008).


• Characterization of Pore Structure in a Nanoporous Low-dielectric-constant Thin Film: Toluene-d₈ is used in neutron and X-ray porosimetry to characterize the porous structure of innovative low-dielectric materials. This application is critical in the development of advanced electronic materials, promoting enhanced performance and miniaturization of electronic devices (Hedden RC et al., 2004).

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Safety Information

• 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 Inhalation - 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