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Deuterated THF

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Chemical compound
Deuterated THF
Skeletal formula of deuterated THF
Skeletal formula of deuterated THF
Spacefill model of deuterated THF
Spacefill model of deuterated THF
Ball and stick model of deuterated THF
Ball and stick model of deuterated THF
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 111854
ChemSpider
ECHA InfoCard 100.015.363 Edit this at Wikidata
EC Number
  • 216-898-4
PubChem CID
UN number 2056
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2Key: WYURNTSHIVDZCO-SVYQBANQSA-N
SMILES
  • C1()OC()()C()()C1()
Properties
Chemical formula C
4D
8O
Molar mass 80.1550 g mol
Appearance Colourless liquid
Density 985 mg cm
Melting point −106 °C (−159 °F; 167 K)
Boiling point 65 to 66 °C (149 to 151 °F; 338 to 339 K)
Hazards
GHS labelling:
Pictograms GHS02: Flammable GHS07: Exclamation mark
Signal word Danger
Hazard statements H225, H319, H335
Precautionary statements P210, P261, P305+P351+P338
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 3 0
Flash point −17 °C (1 °F; 256 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

Deuterated tetrahydrofuran (d8-THF) is a colourless, organic liquid at standard temperature and pressure. This heterocyclic compound has the chemical formula C4D8O, and is an isotopologue of tetrahydrofuran. Deuterated THF is used as a solvent in NMR spectroscopy, though its expense can often be prohibitive.

References

  1. Andersson, O.; Suga, H. (1996-01-01). "Thermal conductivity of normal and deuterated tetrahydrofuran clathrate hydrates". Journal of Physics and Chemistry of Solids. 57 (1): 125–132. doi:10.1016/0022-3697(95)00157-3. ISSN 0022-3697.
  2. David, W. I. F.; Ibberson, R. M. (1992-02-15). "A reinvestigation of the structure of tetrahydrofuran by high-resolution neutron powder diffraction". Acta Crystallographica Section C: Crystal Structure Communications. 48 (2): 301–303. doi:10.1107/S0108270191008582. ISSN 0108-2701.
Deuterated NMR solvents
Reference
1H and 13C chemical shifts


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