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Deuterated Chloroform
CAS: 865-49-6 | CHCl3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
865-49-6
Molecular Formula:
CHCl3
Molecular Weight:
120.384101778 g/mol
Names and Synonyms:
Deuterated Chloroform
Deuterochloroform(CDCl3)
Trichloromethane-d1
Deuteriotrichloromethane
Chloroform (CDCl3)
Trichlorodeuteriomethane
Deuterotrichloromethane
Trichlorodeuteromethane
Trichloromethane-d
Deuterochloroform
Deuteriochloroform
Chloroform-d
Methane-d, trichloro-
Identifiers:
SMILES:
[2H]C(Cl)(Cl)Cl
InChI:
InChI=1S/CHCl3/c2-1(3)4/h1H/i1D
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-name | Chloroform-d None | Legacy Database |
| molecular_mass | 120.38 g/mol | Legacy Database |
| density | 1.50 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Deuterated_chloroform None | Legacy Database |
| cas-boiling-point | 0.5 °C @ Press: 732 Torr None | Legacy Database |
| cas-canonical-smile | ClC(Cl)Cl None | Legacy Database |
| cas-density | 1.5004 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CHCl3/c2-1(3)4/h1H/i1D None | Legacy Database |
| cas-inchi-key | InChIKey=HEDRZPFGACZZDS-MICDWDOJSA-N None | Legacy Database |
| cas-melting-point | -64.69--64.15 °C None | Legacy Database |
| wikipedia-name | Deuterated chloroform None | Legacy Database |
| LogP | 1.9864 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.384101778 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.92065981799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 21.347 | RDKit |
