Naphthalene, 1,3,5,7-tetrachloro-
Basic information
- CAS
53555-64-9- Standard SMILES
Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1- InChIKey
OTTCXKPQKOLSJN-UHFFFAOYSA-N- Molecular formula
- C10H4Cl4
- Average molar mass
- 265.9 g/mol
- Monoisotopic mass
- 263.906711
Names & identifiers
- Preferred name
- Naphthalene, 1,3,5,7-tetrachloro-
- IUPAC
- 1,3,5,7-tetrachloronaphthalene
- English name
- 1,3,5,7-Tetrachloronaphthalene
- Molecular formula
- C10H4Cl4
- Molecular weight
- 265.95
Names & synonyms
1,3,5,7-TetrachloronaphthaleneNaphthalene, 1,3,5,7-tetrachloro-DTXSID60201773RefChem:365274DTXCID90124264OTTCXKPQKOLSJN-UHFFFAOYSA-N53555-64-9PCN 42SCHEMBL10409981,3,5,7-Tetrachloronaphthalene #DB-301009NS00124188
Show more names
PCN-42
Database identifiers
- CAS
53555-64-9- PubChem CID
- 91652
- DTXSID
DTXSID60201773- Nikkaji
- J125.099J
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP6.19
Collision Cross Section145 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Physicochemical properties
- Melting point
- 180 °C · 180 °C
- Boiling point
- 331.8 · 331.8±37.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 5.6 · 5.6×10-2 mol/(m3Pa) at 25℃, Odabasi and Adali (2016)
Chemistry & industry
Applications
Uses1,3,5,7-Tetrachloronaphthalene is a possible environmental pollutant.
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Related reactions
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Compound notes
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