Basic information
- CAS
2253-57-8- Standard SMILES
CCCCCCCCOP(=S)(S)OCCCCCCCC- InChIKey
ZUNYMXPJGBXUCI-UHFFFAOYSA-N- Molecular formula
- C16H35O2PS2
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.1816097
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-dioctyl ester
- IUPAC
- dioctoxy-sulfanyl-sulfanylidene-λ5-phosphane
- English name
- O,O-dioctyl hydrogen dithiophosphate
- Molecular formula
- C16H35O2PS2
- Molecular weight
- 354.55
Names & synonyms
Phosphorodithioic acid, O,O-dioctyl ester2253-57-8EINECS 218-850-8DTXSID20863997RefChem:862885DTXCID80197669O,O-Dioctyl hydrogen dithiophosphateo,o-dioctyl hydrogen phosphorodithioatedioctyldithiophosphoric acidSCHEMBL649061ZUNYMXPJGBXUCI-UHFFFAOYSA-NNS00048468
Show more names
Dithiophosphoric acid O,O-dioctyl esterPhosphorodithioic acid O,O-dioctyl ester
Database identifiers
- CAS
2253-57-8- PubChem CID
- 75262
- DTXSID
DTXSID20863997- EC Number
- 218-850-8
- Nikkaji
- J213.149H
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 153.5 · 153.5-154.5 °C
- Boiling point
- 425 · 425.0±14.0 °C(Predicted)
- Density
- 0.98222 g/cm3 · 0.98222 g/cm3
- pka
- -0.09 · -0.09±0.48(Predicted)
- EPA Substance Registry System
- Phosphorodithioic acid, O,O-dioctyl ester (2253-57-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphorodithioic acid, O,O-dioctyl ester: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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