1,2-Benzenedicarboperoxoic acid
Basic information
- CAS
1203-40-3- Standard SMILES
O=C(OO)c1ccccc1C(=O)OO- InChIKey
DRZOELSSQWENBA-UHFFFAOYSA-N- Molecular formula
- C8H6O6
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 198.01643791
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboperoxoic acid
- IUPAC
- benzene-1,2-dicarboperoxoic acid
- English name
- dioxyphthalic acid
- Molecular formula
- C8H6O6
- Molecular weight
- 198.13
Names & synonyms
1,2-Benzenedicarboperoxoic acid1203-40-3EINECS 214-870-6DTXSID4061620RefChem:71610DTXCID6033586Dioxyphthalic acidbenzene-1,2-dicarboperoxoic acidDioxyphthalsaureSCHEMBL6936SCHEMBL29709946DRZOELSSQWENBA-UHFFFAOYSA-N
Show more names
Diperoxyphthalic acid
NS00023913
Database identifiers
- CAS
1203-40-3- PubChem CID
- 70996
- DTXSID
DTXSID4061620- EC Number
- 214-870-6
- Nikkaji
- J217.047G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 435.609 · 435.609±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.557 · 1.557±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.794 · 6.794±0.40(predicted)
- EPA Substance Registry System
- 1 · 1,2-Benzenedicarboperoxoic acid (1203-40-3)
- 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 Information1,2-Benzenedicarboperoxoic acid: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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