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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 Mass:
86.95 g/mol
Names and Synonyms:
Deuterated Dichloromethane
Methane-d2, dichloro-
Dichloromethane-d2
Dideuteriodichloromethane
Dichlorodideuteriomethane
Methylene-d2 chloride
Methylene-d2 dichloride
Dideuterodichloromethane
Dideuteriomethylene chloride
Methylene chloride-d2
Dichlorodideuteromethane
d2-Methylene chloride
Identifiers:
SMILES:
[2H]C([2H])(Cl)Cl
InChI:
InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2
Key Properties
Boiling Point
82 °C
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 | 86.95 g/mol | CAS Common Chemistry |
| 86.94520355600001 g/mol | RDKit | |
| 85.96590891599999 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 | RDKit |
