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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
Names and Synonyms:
2,3-Dichlorotetrahydrofuran
Furan, 2,3-dichlorotetrahydro-
2,3-Dichlorotetrahydrofuran
Identifiers:
SMILES:
ClC1CCOC1Cl
InChI:
InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2
Key Properties
Boiling Point
62-63 °C @ Press: 20 Torr
CAS Common Chemistry
Density
1.34 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 | 141.00 g/mol | CAS Common Chemistry |
| 140.997 g/mol | RDKit | |
| 139.979570172 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.336 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Boiling Point | 62-63 °C @ Press: 20 Torr | 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 | RDKit |
