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Molecule
2,3-Dichlorotetrahydrofuran
CAS: 3511-19-1 · C4H6Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3511-19-1
- Molecular Formula
- C4H6Cl2O
- Molecular Mass
- 141.00 g/mol
Identifiers
CAS Registry Number
3511-19-1
SMILES
ClC1CCOC1Cl
InChI Key
ZQHLMWUFVRLDRK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2
Names and Synonyms
- 2,3-Dichlorotetrahydrofuran Synonym
- Furan, 2,3-dichlorotetrahydro- Synonym
- 2,3-Dichlorotetrahydrofuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.00 g/mol | CAS Common Chemistry |
| 140.997 g/mol | RDKit | |
| 140.991 g/mol | chempirical lib | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.336 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Canonical SMILES | ClC1OCCC1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQHLMWUFVRLDRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dichlorotetrahydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 1.579 | RDKit |
| Molar Refractivity | 29.850999999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 139.979570172 g/mol | RDKit |
| Boiling Point | 62-63 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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
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MW = 141.00 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6Cl2O.
