Bis(pentafluoropropionyl) peroxide

HCID 67743

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Basic information

CAS: 356-45-6
Standard SMILES: O=C(OOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIKey: NHJFHUKLZMQIHN-UHFFFAOYSA-N
Molecular formula: C6F10O4
Average molar mass: 326.05 g/mol
Monoisotopic mass: 325.96369068

Names & identifiers

Preferred name: Bis(pentafluoropropionyl) peroxide
IUPAC: 2,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropaneperoxoate
English name: bis(pentafluoropropionyl) peroxide
Molecular formula: C6F10O4
Molecular weight: 326.05

Names & synonyms

Bis(pentafluoropropionyl) peroxide356-45-6Peroxide, bis(pentafluoropropionyl)perfluoropropionyl peroxideperfluorodipropionyl peroxide5A3C39G3TIPeroxide, bis(2,2,3,3,3-pentafluoro-1-oxopropyl)EINECS 206-605-8bis(perfluoropropionyl) peroxideDTXSID4059883RefChem:569228DTXCID1039058

Show more names

Bis(2,2,3,3,3-pentafluoropropionyl) peroxidePentafluoro-propanoic acid pentafluoropropane-peroxoic anhydride2,2,3,3,3-pentafluoroperoxypropionic acid 2,2,3,3,3-pentafluoropropanoyl ester

206-605-82,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropaneperoxoateUNII-5A3C39G3TISCHEMBL426585bis(pentafluoropropanoyl) peroxideNS00041616Bis(2,2,3,3,3-pentafluoro-1-oxopropyl) peroxideQ27261733

Database identifiers

CAS: 356-45-6
PubChem CID: 67743
DTXSID: DTXSID4059883
UNII: 5A3C39G3TI
EC Number: 206-605-8
Nikkaji: J193.851G

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 14
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 356

Experimental & physicochemical properties

PFASPFAS -> Other/unspecified

Physicochemical properties

Boiling point: 96.6 · 96.6±50.0 °C(Predicted)
Density: 1.723 · 1.723±0.06 g/cm3(Predicted)
FDA UNII: 5 A3C39G3TI · 5A3C39G3TI
EPA Substance Registry System: Peroxide, bis(2,2,3,3,3-pentafluoro-1-oxopropyl) (356-45-6)
TSCA: TSCA listed