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Molecule
Deuterated Dichloromethane
CAS: 1665-00-5 · CH2Cl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1665-00-5
- Molecular Formula
- CH2Cl2
- Molecular Mass
- 86.95 g/mol
Identifiers
CAS Registry Number
1665-00-5
SMILES
[2H]C([2H])(Cl)Cl
InChI Key
YMWUJEATGCHHMB-DICFDUPASA-N
InChI
InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2
Names and Synonyms
- Deuterated Dichloromethane Common Name
- Methane-d2, dichloro- Synonym
- Dichloromethane-d2 Synonym
- Dideuteriodichloromethane Synonym
- Dichlorodideuteriomethane Synonym
- Methylene-d2 chloride Synonym
- Methylene-d2 dichloride Synonym
- Dideuterodichloromethane Synonym
- Dideuteriomethylene chloride Synonym
- Methylene chloride-d2 Synonym
- Dichlorodideuteromethane Synonym
- d2-Methylene chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.95 g/mol | CAS Common Chemistry |
| 86.94520355600001 g/mol | RDKit | |
| 85.96590891599999 g/mol | RDKit | |
| 86.9452 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterated_dichloromethane | CAS Common Chemistry |
| Boiling Point | 82 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCl | CAS Common Chemistry |
| InChI | InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2 | CAS Common Chemistry |
| InChI Key | InChIKey=YMWUJEATGCHHMB-DICFDUPASA-N | CAS Common Chemistry |
| Name | Dichloromethane-d2 | CAS Common Chemistry |
| Deuterated dichloromethane | CAS Common Chemistry | |
| Heavy Atom Count | 3 | 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 | 1.4215 | RDKit |
| Molar Refractivity | 16.573 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 84.927 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
External Resources
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MW = 86.95 g/mol. Edit any field — others recompute live.
