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Molecule
Chloroform
CAS: 67-66-3 · CHCl3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 67-66-3
- Molecular Formula
- CHCl3
- Molecular Mass
- 119.38 g/mol
Identifiers
CAS Registry Number
67-66-3
SMILES
ClC(Cl)Cl
InChI Key
HEDRZPFGACZZDS-UHFFFAOYSA-N
InChI
InChI=1S/CHCl3/c2-1(3)4/h1H
Names and Synonyms
- Chloroform Synonym
- F 20 Synonym
- Methane, trichloro- Synonym
- Chloroform Synonym
- Trichloromethane Synonym
- Trichloroform Synonym
- R 20 Synonym
- R 20 (refrigerant) Synonym
- HCC 20 Synonym
- NSC 77361 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.38 g/mol | CAS Common Chemistry |
| 119.37800000000001 g/mol | RDKit | |
| 119.378 g/mol | RDKit | |
| 119.369 g/mol | chempirical lib | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.4835 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloroform | CAS Common Chemistry |
| Boiling Point | 61.2 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CHCl3/c2-1(3)4/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=HEDRZPFGACZZDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -63.2 °C | CAS Common Chemistry |
| Name | 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 | 21.346999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 117.91438307199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 119.38 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
