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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 Mass:
98.96 g/mol
Names and Synonyms:
1,1-Dichloroethane
Ethane, 1,1-dichloro-
1,1-Dichloroethane
Ethylidene chloride
Ethylidene dichloride
Dichloromethylmethane
1,1-Ethylene dichloride
HCC 150a
F 150a
Identifiers:
SMILES:
CC(Cl)Cl
InChI:
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
Key Properties
Boiling Point
57.4 °C
CAS Common Chemistry
Melting Point
-96.9 °C
CAS Common Chemistry
Density
1.17 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 | 98.96 g/mol | CAS Common Chemistry |
| 98.96000000000001 g/mol | RDKit | |
| 97.969005488 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.1680 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1-Dichloroethane | CAS Common Chemistry |
| Boiling Point | 57.4 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCYULBFZEHDVBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -96.9 °C | CAS Common Chemistry |
| Name | 1,1-Dichloroethane | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.81 | RDKit |
| Molar Refractivity | 21.167999999999992 | RDKit |
