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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 Weight:
119.37800000000001 g/mol
Names and Synonyms:
Chloroform
F 20
Methane, trichloro-
Chloroform
Trichloromethane
Trichloroform
R 20
R 20 (refrigerant)
HCC 20
NSC 77361
Identifiers:
SMILES:
ClC(Cl)Cl
InChI:
InChI=1S/CHCl3/c2-1(3)4/h1H
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 119.38 g/mol | Legacy Database |
| density | 1.48 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Chloroform | Legacy Database | |
| cas-boiling-point | 61.2 °C | Legacy Database | |
| cas-canonical-smile | ClC(Cl)Cl | Legacy Database | |
| cas-density | 1.4835 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/CHCl3/c2-1(3)4/h1H | Legacy Database | |
| cas-inchi-key | InChIKey=HEDRZPFGACZZDS-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -63.2 °C | Legacy Database | |
| cas-name | Chloroform | Legacy Database | |
| wikipedia-name | Chloroform | Legacy Database | |
| LogP | 1.9864 | RDKit | |
| Molecular | Molecular Weight | 119.37800000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 117.91438307199999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 21.346999999999998 | RDKit |
