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Tetrahydrofuran
CAS: 109-99-9 | C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-99-9
- Molecular Formula
- C4H8O
- Molecular Mass
- 72.11 g/mol
Identifiers
CAS Registry Number
109-99-9
SMILES
C1CCOC1
InChI Key
WYURNTSHIVDZCO-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
Names and Synonyms
- Tetrahydrofuran Synonym
- Furan, tetrahydro- Synonym
- Tetrahydrofuran Synonym
- Butane, 1,4-epoxy- Synonym
- Butane α,δ-oxide Synonym
- Cyclotetramethylene oxide Synonym
- Furanidine Synonym
- Oxacyclopentane Synonym
- Oxolane Synonym
- Tetramethylene oxide Synonym
- THF Synonym
- NSC 57858 Synonym
- 2,3,4,5-Tetrahydrofuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8892 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrahydrofuran | CAS Common Chemistry |
| Canonical SMILES | O1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WYURNTSHIVDZCO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -108.3 °C | CAS Common Chemistry |
| Name | Tetrahydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.7968 | RDKit |
| Molar Refractivity | 20.052999999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.057514876 g/mol | RDKit |
| Boiling Point | 65 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C4H8O.
