Back to Search
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 Mass:
120.38 g/mol
Names and Synonyms:
Deuterated Chloroform
Methane-d, trichloro-
Chloroform-d
Deuteriochloroform
Deuterochloroform
Trichloromethane-d
Trichlorodeuteromethane
Deuterotrichloromethane
Trichlorodeuteriomethane
Chloroform (CDCl3)
Deuteriotrichloromethane
Trichloromethane-d1
Deuterochloroform(CDCl3)
Identifiers:
SMILES:
[2H]C(Cl)(Cl)Cl
InChI:
InChI=1S/CHCl3/c2-1(3)4/h1H/i1D
Key Properties
Boiling Point
0.5 °C @ Press: 732 Torr
CAS Common Chemistry
Melting Point
-64.69--64.15 °C
CAS Common Chemistry
Density
1.50 g/cm³
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 | 120.38 g/mol | CAS Common Chemistry |
| 120.384101778 g/mol | RDKit | |
| 118.92065981799999 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.5004 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterated_chloroform | CAS Common Chemistry |
| Boiling Point | 0.5 °C @ Press: 732 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CHCl3/c2-1(3)4/h1H/i1D | CAS Common Chemistry |
| InChI Key | InChIKey=HEDRZPFGACZZDS-MICDWDOJSA-N | CAS Common Chemistry |
| Melting Point | -64.69--64.15 °C | CAS Common Chemistry |
| Name | Chloroform-d | CAS Common Chemistry |
| Deuterated chloroform | 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 | 1.9864 | RDKit |
| Molar Refractivity | 21.347 | RDKit |
