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Molecule
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
Identifiers
CAS Registry Number
75-34-3
SMILES
CC(Cl)Cl
InChI Key
SCYULBFZEHDVBN-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
Names and Synonyms
- 1,1-Dichloroethane Systematic Name
- Ethane, 1,1-dichloro- Synonym
- 1,1-Dichloroethane Synonym
- Ethylidene chloride Synonym
- Ethylidene dichloride Synonym
- Dichloromethylmethane Synonym
- 1,1-Ethylene dichloride Synonym
- HCC 150a Synonym
- F 150a Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.96 g/mol | CAS Common Chemistry |
| 98.96000000000001 g/mol | RDKit | |
| 98.954 g/mol | chempirical lib | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.1680 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 97.969005488 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 98.96 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
