151998

Toluene-d₈

99 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: 24849188
• NACRES: NA.21

Properties

• isotopic purity: 99 atom % D
• Quality Level: 100
• assay: ≥99.00%
• form: liquid
• 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

Description

General description

Toluene-d₈ is a deuterated derivative of toluene. Pyrolytic decomposition of dilute mixtures (concentration range = 5-20ppm) of toluene-d₈ in argon behind shock waves has been reported to afford various concentrations of hydrogen and deuterium atoms. This pyrolytic reaction was investigated by resonance absorption spectroscopy. It participates as solvent in the time-course ¹H-NMR (Proton Nuclear Magnetic Resonance) spectral evaluation of (E)-dimethyl 2-(ferrocenylethynyl)-3-(4-nitrophenylethynyl)fumarate, on irradiation with light at 546 and 578nm.

Application

Toluene-d₈ can be used as solvent to study the nuclear magnetic resonance spectra of the corresponding polymethylene block copolymers.

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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