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1,1-Dichloroethane
CAS: 75-34-3 | C2H4Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-34-3
Molecular Formula:
C2H4Cl2
Molecular Weight:
98.96000000000001 g/mol
Names and Synonyms:
1,1-Dichloroethane
F 150a
HCC 150a
1,1-Ethylene dichloride
Dichloromethylmethane
Ethylidene dichloride
Ethylidene chloride
1,1-Dichloroethane
Ethane, 1,1-dichloro-
Identifiers:
SMILES:
CC(Cl)Cl
InChI:
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.96000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.969005488 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.81 | RDKit |
| molecular_mass | 98.96 g/mol | Legacy Database |
| density | 1.17 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,1-Dichloroethane None | Legacy Database |
| cas-boiling-point | 57.4 °C None | Legacy Database |
| cas-canonical-smile | ClC(Cl)C None | Legacy Database |
| cas-density | 1.1680 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SCYULBFZEHDVBN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -96.9 °C None | Legacy Database |
| cas-name | 1,1-Dichloroethane None | Legacy Database |
| wikipedia-name | 1,1-Dichloroethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.167999999999992 | RDKit |
