Basic information
- CAS
4733-52-2- Standard SMILES
O=c1ooc(=O)c2ccccc12- InChIKey
WMKGMCCZGTXXQU-UHFFFAOYSA-N- Molecular formula
- C8H4O4
- Average molar mass
- 164.11 g/mol
- Monoisotopic mass
- 164.0109586
Overview
structure in first source
Names & identifiers
- Preferred name
- Phthaloyl peroxide
- IUPAC
- 2,3-benzodioxine-1,4-dione
- English name
- Phthaloyl peroxide
- Molecular formula
- C8H4O4
- Molecular weight
- 164.12
Names & synonyms
phthaloyl peroxideRefChem:814862,3-Benzodioxin-1,4-dione4733-52-2Phthalic peroxide2,3-benzodioxine-1,4-dioneSCHEMBL868661DTXSID9063586SCHEMBL30305755
Database identifiers
- CAS
4733-52-2- PubChem CID
- 78468
- DTXSID
DTXSID9063586- Nikkaji
- J421.739J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 126 °C · 126 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 207 °C · 207°C (estimate)
- Density
- 1.2637 · 1.2637 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- EPA Substance Registry System
- 2 · 2,3-Benzodioxin-1,4-dione (4733-52-2)
- 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 Information2,3-Benzodioxin-1,4-dione: INACTIVE
Suppliers1 total
陕西鼎创美捷化工有限公司15209235325 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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