425788

Toluene-d₈

"100%", 99.96 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: 24866666

Properties

• isotopic purity: 99.96 atom % D
• assay: ≥99.0%
• form: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• packaging: pk of 10 × 1 mL
• 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 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.

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