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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
Names and Synonyms:
Tetrahydrofuran
Furan, tetrahydro-
Tetrahydrofuran
Butane, 1,4-epoxy-
Butane α,δ-oxide
Cyclotetramethylene oxide
Furanidine
Oxacyclopentane
Oxolane
Tetramethylene oxide
THF
NSC 57858
2,3,4,5-Tetrahydrofuran
Identifiers:
SMILES:
C1CCOC1
InChI:
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
Key Properties
Boiling Point
65 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-108.3 °C
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| 72.057514876 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8892 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrahydrofuran | CAS Common Chemistry |
| Boiling Point | 65 °C @ Press: 760 Torr | 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 | RDKit |
