General description
Benzene-d6 (C6D6) is deuterated benzene. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,13C NMR, IR and MS spectra have been reported.
Application
Benzene-d6 (C6D6) may be used in the following:
- Synthesis of isotopically labeled samples.
- As a 1H and 13C-NMR solvent.
- In the internal calibration of benzene stock solution.
Molecular Weight: 84.15. Empirical Formula: C
6D
6. grade: anhydrous. Quality Level: 100. isotopic purity: ≥. 99.6 . atom % . D. Assay: ≥. 99.0%. form: liquid. expl. lim.: 0.34-6.3 . % (lit.). technique(s): NMR: suitable. impurities: <. 10 . ppm water. refractive index:
n20/D 1.497 (lit.). bp: 79.1 . °C/760 . mmHg (lit.). mp: 6.8 . °C (lit.). density: 0.950 . g/mL . at 25 . °C (lit.). mass shift: M+6. SMILES string: [2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]. InChI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D. InChI key: UHOVQNZJYSORNB-MZWXYZOWSA-N. Pictograms: GHS02,GHS07,GHS08. Signal Word: Danger. Hazard Statements: H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412. Precautionary Statements: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331. Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1. Target Organs: Blood. Storage Class Code: 3 - Flammable liquids. WGK: WGK 3. Flash Point(F): 12.2 °F - closed cup. Flash Point(C): -11 °C - closed cup. Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter.