Basic information
- CAS
4062-20-8- Standard SMILES
O=P(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
SGYDKALSBFBIFE-UHFFFAOYSA-N- Molecular formula
- C18Cl15O4P
- Average molar mass
- 842.9 g/mol
- Monoisotopic mass
- 835.486211
Names & identifiers
- Preferred name
- Phenol, pentachloro-, phosphate (3:1) (8CI,9CI)
- IUPAC
- tris(2,3,4,5,6-pentachlorophenyl) phosphate
- English name
- Phosphoric acid tris(pentachlorophenyl) ester
- Molecular formula
- C18Cl15O4P
- Molecular weight
- 842.96
Names & synonyms
Pentachlorophenyl phosphateTris(pentachlorophenyl) phosphate4062-20-8BRN 2034612Phosphoric acid, tris(pentachlorophenyl) esterPhenol, pentachloro-, phosphate (3:1) (8CI,9CI)DTXSID40193627RefChem:369457DTXCID80116118tris(2,3,4,5,6-pentachlorophenyl) phosphatePhosphoric acid tris(pentachlorophenyl) esterPhenol, pentachloro-, phosphate (3:1)
Show more names
Phosphorsaeure-tris-pentachlorphenylesterTris(2,3,4,5,6-pentachlorophenyl)phosphate
SCHEMBL6273605Phosphoric acid, tris(pentachlorophenyl)ester
Database identifiers
- CAS
4062-20-8- PubChem CID
- 77679
- DTXSID
DTXSID40193627- Nikkaji
- J50.406H
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 712
Physicochemical properties
- Melting point
- 225 · 225-230 °C
- Boiling point
- 723.1 · 723.1±60.0 °C(Predicted)
- Density
- 1.928 · 1.928±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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