Basic information
- CAS
7225-11-8- Standard SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
DYEMCNHDVONHAN-UHFFFAOYSA-N- Molecular formula
- C24H14F13OP
- Average molar mass
- 596.3 g/mol
- Monoisotopic mass
- 596.0574682
Names & identifiers
- Preferred name
- 1-Diphenylphosphoryl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
- IUPAC
- 1-diphenylphosphoryl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
- English name
- (2-Tridecafluorohexylphenyl)diphenylphosphine oxide
- Molecular formula
- C24H23NO2
- Molecular weight
- 357.44
Names & synonyms
1-diphenylphosphoryl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene7225-11-8DTXSID50411869RefChem:229963DTXCID50362721Oxodi(phenyl)[2-(tridecafluorohexyl)phenyl]-lambda~5~-phosphane(2-Tridecafluorohexylphenyl)diphenylphosphine oxide1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-5,6-bis(phenylmethyl)-
Database identifiers
- CAS
7225-11-8- PubChem CID
- 5232148
- DTXSID
DTXSID50411869- Nikkaji
- J1.685.529D
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 867
Physicochemical properties
- Melting point
- 102 · 102-104 °C
- Boiling point
- 489.2 · 489.2±34.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 7.2 · 7.20±0.40(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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