Basic information
- CAS
31604-28-1- Standard SMILES
Clc1cc(Cl)c2c(Cl)ccc(Cl)c2c1- InChIKey
VFTLNRFRXWCJJK-UHFFFAOYSA-N- Molecular formula
- C10H4Cl4
- Average molar mass
- 265.9 g/mol
- Monoisotopic mass
- 263.906711
Names & identifiers
- Preferred name
- 1,3,5,8-Tetrachloronaphthalene
- IUPAC
- 1,3,5,8-tetrachloronaphthalene
- English name
- 1,3,5,8-TETRACHLORONAPHTHALENE
- Molecular formula
- C10H4Cl4
- Molecular weight
- 265.95
Names & synonyms
1,3,5,8-Tetrachloronaphthalene31604-28-1Naphthalene, 1,3,5,8-tetrachloroNaphthalene, 1,3,5,8-tetrachloro-SCHEMBL20356044DTXSID10185493CN-43PCN-43
Database identifiers
- CAS
31604-28-1- PubChem CID
- 91602
- DTXSID
DTXSID10185493- Nikkaji
- J167.222C
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
LogP5.76
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 349.6 · 349.6±37.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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