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Deuterated Dichloromethane
CAS: 1665-00-5 | CH2Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1665-00-5
Molecular Formula:
CH2Cl2
Molecular Weight:
86.94520355600001 g/mol
Names and Synonyms:
Deuterated Dichloromethane
Common Name
d2-Methylene chloride
Synonym
Dichlorodideuteromethane
Synonym
Methylene chloride-d2
Synonym
Dideuteriomethylene chloride
Synonym
Dideuterodichloromethane
Synonym
Methylene-d2 dichloride
Synonym
Methylene-d2 chloride
Synonym
Dichlorodideuteriomethane
Synonym
Dideuteriodichloromethane
Synonym
Dichloromethane-d2
Synonym
Methane-d2, dichloro-
Synonym
Identifiers:
SMILES:
[2H]C([2H])(Cl)Cl
InChI:
InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.95 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Deuterated_dichloromethane None | Legacy Database |
| cas-boiling-point | 82 °C None | Legacy Database |
| cas-canonical-smile | ClCCl None | Legacy Database |
| cas-inchi | InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2 None | Legacy Database |
| cas-inchi-key | InChIKey=YMWUJEATGCHHMB-DICFDUPASA-N None | Legacy Database |
| cas-name | Dichloromethane-d2 None | Legacy Database |
| wikipedia-name | Deuterated dichloromethane None | Legacy Database |
| LogP | 1.4215 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.94520355600001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.96590891599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.573 | RDKit |