Phosphoric acid, dipropyl 5,5,5-trichloropentyl ester
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Basic information
- CAS
36266-97-4- Standard SMILES
CCCOP(=O)(OCCC)OCCCCC(Cl)(Cl)Cl- InChIKey
NCLQMFBJKOTTGD-UHFFFAOYSA-N- Molecular formula
- C11H22Cl3O4P
- Average molar mass
- 355.6 g/mol
- Monoisotopic mass
- 354.032129
Names & identifiers
- Preferred name
- Phosphoric acid, dipropyl 5,5,5-trichloropentyl ester
- IUPAC
- dipropyl 5,5,5-trichloropentyl phosphate
- English name
- Phosphoric acid dipropyl 5,5,5-trichloropentyl ester
- Molecular formula
- C11H22Cl3O4P
- Molecular weight
- 355.62
Names & synonyms
Dipropyl 5,5,5-trichloropentyl phosphate36266-97-4Phosphoric acid, dipropyl 5,5,5-trichloropentyl esterDTXSID00189809RefChem:370982DTXCID10112300dipropyl trichloro-pentyl phosphatePhosphoric acid dipropyl 5,5,5-trichloropentyl ester
Database identifiers
- CAS
36266-97-4- PubChem CID
- 215792
- DTXSID
DTXSID00189809- Nikkaji
- J50.402E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 386.5 · 386.5±42.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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