Basic information
- CAS
61931-61-1- Standard SMILES
O=c1c2ccccc2c2cc3ccc4c(=O)c5cc(Br)c(Br)c(Br)c5c5c(Br)c6ccc1c2c6c3c45- InChIKey
VWGVTTALJUVJRP-UHFFFAOYSA-N- Molecular formula
- C30H10Br4O2
- Average molar mass
- 722 g/mol
- Monoisotopic mass
- 717.74143
Names & identifiers
- Preferred name
- 8,16-Pyranthrenedione, tetrabromo-
- IUPAC
- 2,3,4,5-tetrabromopyranthrene-8,16-dione
- English name
- tetrabromopyranthrene-8,16-dione
- Molecular formula
- C30H10Br4O2
- Molecular weight
- 722.0152
Names & synonyms
8,16-Pyranthrenedione, tetrabromo-EINECS 263-328-5RefChem:54715961931-61-1Tetrabromopyranthrene-8,16-dione2,3,4,5-tetrabromopyranthrene-8,16-dioneDTXSID90977479VWGVTTALJUVJRP-UHFFFAOYSA-N
Database identifiers
- CAS
61931-61-1- PubChem CID
- 112784
- DTXSID
DTXSID90977479- EC Number
- 263-328-5
- Nikkaji
- J105.761H
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 971
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 8 · 8,16-Pyranthrenedione, tetrabromo- (61931-61-1)
- 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.
Hazard information
Regulatory InformationChemical: 8,16-Pyranthrenedione, tetrabromo-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information8,16-Pyranthrenedione, tetrabromo-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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