Deuterated THF

Short description: Chemical compound

Deuterated THF  | Skeletal formula of deuterated THF | Spacefill model of deuterated THF

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Identifiers

CAS Number

* 1693-74-9 Y

3D model (JSmol)

* Interactive image

Beilstein Reference

| 111854
ChemSpider |

* 72531 Y

EC Number |

* 216-898-4

PubChem CID

* 80290

UN number | 2056

InChI

* InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2 Y

Key: WYURNTSHIVDZCO-SVYQBANQSA-N Y

SMILES

* [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]

Properties

Chemical formula

| C4D8O
Molar mass | 80.1550 g mol−1
Appearance  | Colourless liquid
Density | 985 mg cm−3
Melting point |  −106 °C (−159 °F; 167 K)
Boiling point |  65 to 66 °C (149 to 151 °F; 338 to 339 K)
Hazards
GHS pictograms |
GHS Signal word | DANGER

GHS hazard statements

| H225, H319, H335

GHS precautionary statements

| P210, P261, P305+351+338
NFPA 704 (fire diamond)  |

Flash point |  −17 °C (1 °F; 256 K)

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Y verify (what is YN ?)
Infobox references

Tracking categories (test):

* SizeSet

Deuterated tetrahydrofuran (d8-THF) is a colourless, organic liquid at standard temperature and pressure.[1] This heterocyclic compound has the chemical formula C4D8O, and is an isotopologue of tetrahydrofuran.[2] Deuterated THF is used as a solvent in NMR spectroscopy, though its expense can often be prohibitive.[citation needed]

## References

1. ↑ Andersson, O.; Suga, H. (1996-01-01). "Thermal conductivity of normal and deuterated tetrahydrofuran clathrate hydrates" (in en). Journal of Physics and Chemistry of Solids 57 (1): 125–132. doi:10.1016/0022-3697(95)00157-3. ISSN 0022-3697. https://dx.doi.org/10.1016/0022-3697(95)00157-3.
2. ↑ David, W. I. F.; Ibberson, R. M. (1992-02-15). "A reinvestigation of the structure of tetrahydrofuran by high-resolution neutron powder diffraction" (in en). Acta Crystallographica Section C: Crystal Structure Communications 48 (2): 301–303. doi:10.1107/S0108270191008582. ISSN 0108-2701. http://scripts.iucr.org/cgi-bin/paper?S0108270191008582.

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Deuterated NMR Solvents

Deuterated|

* Deuterated acetone \- (CD3)2C=O
* Deuterated benzene \- C6D6
* Deuterated chloroform \- CDCl3
* Deuterated dichloromethane \- CD2Cl2
* Deuterated DMF \- (CD3)2NCOD
* Deuterated DMSO \- (CD3)2S=O
* Deuterated ethanol \- C2D5OD
* Deuterated methanol \- CD3OD
* Deuterated THF \- (C4D8)O
* Deuterated water \- D2O

Reference

1H and 13C chemical shifts

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*[CID]: Compound ID
*[H225]: Highly flammable liquid and vapour
*[H319]: Causes serious eye irritation
*[H335]: May cause respiratory irritation
*[P210]: Keep away from heat/sparks/open flames/hot surfaces – No smoking
*[P261]: Avoid breathing dust/fume/gas/mist/vapours/spray
*[P305+351+338]: IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing
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