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Molecule
Carbon Tetrachloride
CAS: 56-23-5 · CCl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56-23-5
- Molecular Formula
- CCl4
- Molecular Mass
- 153.82 g/mol
Identifiers
CAS Registry Number
56-23-5
SMILES
ClC(Cl)(Cl)Cl
InChI Key
VZGDMQKNWNREIO-UHFFFAOYSA-N
InChI
InChI=1S/CCl4/c2-1(3,4)5
Names and Synonyms
- Carbon Tetrachloride Synonym
- Methane, tetrachloro- Synonym
- Carbon tetrachloride Synonym
- Tetrachloromethane Synonym
- Benzinoform Synonym
- Necatorina Synonym
- Perchloromethane Synonym
- Carbon chloride (CCl4) Synonym
- Tetrafinol Synonym
- Tetraform Synonym
- Carbona Synonym
- Tetrasol Synonym
- Flukoids Synonym
- Univerm Synonym
- Vermoestricid Synonym
- R 10 (refrigerant) Synonym
- R 10 Synonym
- Halon 1040 Synonym
- CC m0 Synonym
- NSC 97063 Synonym
- Phenixin Synonym
- 1,1,1,1-Tetrachloromethane Synonym
- Phenoxin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.82 g/mol | CAS Common Chemistry |
| 153.823 g/mol | RDKit | |
| 153.811 g/mol | chempirical lib | |
| Density | 1.59 g/cm³ | CAS Common Chemistry |
| 1.5940 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbon_tetrachloride | CAS Common Chemistry |
| Boiling Point | 76.8 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CCl4/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=VZGDMQKNWNREIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -23 °C | CAS Common Chemistry |
| Name | Carbon tetrachloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.5529 | RDKit |
| Molar Refractivity | 26.143 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.87541072 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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Quick conversion
MW = 153.82 g/mol; density = 1.590 g/mL. Edit any field — others recompute live.
