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Molecule
Tetrachloro-p-quinone
CAS: 118-75-2 · C6Cl4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 118-75-2
- Molecular Formula
- C6Cl4O2
- Molecular Mass
- 245.88 g/mol
Identifiers
CAS Registry Number
118-75-2
SMILES
O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
InChI Key
UGNWTBMOAKPKBL-UHFFFAOYSA-N
InChI
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
Names and Synonyms
- Tetrachloro-p-quinone Synonym
- Vulklor Synonym
- p-Chloranil Synonym
- Coversan Synonym
- Chloranil Synonym
- 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro- Synonym
- p-Benzoquinone, 2,3,5,6-tetrachloro- Synonym
- 2,3,5,6-Tetrachloro-2,5-cyclohexadiene-1,4-dione Synonym
- ENT 3797 Synonym
- Chloranil Synonym
- Dow Seed Disinfectant No. 5 Synonym
- Reranil Synonym
- Spergon I Synonym
- Spergon Synonym
- Spergon Technical Synonym
- Tetrachlorobenzoquinone Synonym
- Tetrachloro-p-benzoquinone Synonym
- 2,3,5,6-Tetrachloro-1,4-benzoquinone Synonym
- Tetrachloroquinone Synonym
- Tetrachloro-1,4-benzoquinone Synonym
- 2,3,5,6-Tetrachlorobenzoquinone Synonym
- 2,3,5,6-Tetrachloro-p-benzoquinone Synonym
- 2,3,5,6-Tetrachloroquinone Synonym
- Quinone tetrachloride Synonym
- α-Chloranil Synonym
- Psorisan Synonym
- Actor CL Synonym
- 2,3,5,6-Tetrachlorocyclohexadiene-1,4-dione Synonym
- 1,2,4,5-Tetrachlorobenzoquinone Synonym
- NSC 8432 Synonym
- 2,3,5,6-Tetrachloro-1,4-(p-)-benzoquinone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.88 g/mol | CAS Common Chemistry |
| 245.876 g/mol | RDKit | |
| 245.864 g/mol | chempirical lib | |
| Density | 1.97 g/cm³ | CAS Common Chemistry |
| 1.97 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloranil | CAS Common Chemistry |
| Canonical SMILES | O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 | CAS Common Chemistry |
| InChI Key | InChIKey=UGNWTBMOAKPKBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 290 °C | CAS Common Chemistry |
| Name | Chloranil | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 2.5166 | RDKit |
| 2.71 | chempirical lib | |
| Molar Refractivity | 47.477999999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 243.86523996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 245.88 g/mol; density = 1.970 g/mL. Edit any field — others recompute live.
