Basic information
- CAS
793710-14-2- Standard SMILES
CCCCCCCCOP(=S)(OCCCCCCCC)SCCC(=O)NCOCNC(=O)CCSP(=S)(OCCCCCCCC)OCCCCCCCC- InChIKey
ZPYXJFWMHVMKNG-UHFFFAOYSA-N- Molecular formula
- C40H82N2O7P2S4
- Average molar mass
- 893.3 g/mol
- Monoisotopic mass
- 892.44801165
Names & identifiers
- Preferred name
- 3,3'-Bis(dioctyloxyphosphinothioylthio)-N,N'-oxybis(methylene)dipropionamide
- IUPAC
- 3-dioctoxyphosphinothioylsulfanyl-N-[(3-dioctoxyphosphinothioylsulfanylpropanoylamino)methoxymethyl]propanamide
Names & synonyms
793710-14-2EC 401-820-53,3'-Bis(dioctyloxyphosphinothioylthio)-N,N'-oxybis(methylene)dipropionamideRefChem:484947401-820-5DTXSID60703808ZPYXJFWMHVMKNG-UHFFFAOYSA-NNS00019628O,O,O',O'-Tetraoctyl S,S'-{oxybis[methyleneazanediyl(3-oxopropane-3,1-diyl)]} bis(phosphorodithioate)
Database identifiers
- CAS
793710-14-2- PubChem CID
- 53471980
- DTXSID
DTXSID60703808- EC Number
- 401-820-5
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 44
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 870
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 100% (441 of 441) of all reports.
Not Classified
Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory.
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory InformationREACH registered substance: 3,3'-bis(dioctyloxyphosphinothioylthio)-N,N'-oxybis(methylene)dipropionamide (EC: 401-820-5)
Hazard Classes and Categories
Not Classified
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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