Basic information
- CAS
1941-79-3- Standard SMILES
O=C(CCCCCCCC(=O)OO)OO- InChIKey
SXLLDUPXUVRMEE-UHFFFAOYSA-N- Molecular formula
- C9H16O6
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.09468823
Names & identifiers
- Preferred name
- Peroxyazelaic acid
- IUPAC
- nonanediperoxoic acid
- English name
- diperoxyazelaic acid
- Molecular formula
- C9H16O6
- Molecular weight
- 220.22
Names & synonyms
Nonanediperoxoic acidDiperoxyazelaic acidPeroxyazelaic acid1941-79-38NV7UJL4POAZELAIC DIPERACIDDIPERAZELAIC ACIDEINECS 217-729-7DTXSID3062077RefChem:860361DTXCID2036081217-729-7
Show more names
UNII-8NV7UJL4POSCHEMBL20542NS00026326
Database identifiers
- CAS
1941-79-3- PubChem CID
- 74746
- DTXSID
DTXSID3062077- UNII
- 8NV7UJL4PO
- EC Number
- 217-729-7
- Nikkaji
- J199.755F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 377.5 · 377.5±52.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 7.61 · 7.61±0.40(Predicted)
- FDA UNII
- 8 NV7UJL4PO · 8NV7UJL4PO
- EPA Substance Registry System
- Nonanediperoxoic acid (1941-79-3)
- RIDADR
- 3116 · 3116
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
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
- ridadr
- 3116
- hazard_class
- 5.2
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanediperoxoic acid: ACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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