7H-Benz(de)anthracen-7-one, 3,9-dibromo-
Basic information
- CAS
81-98-1- Standard SMILES
O=C1c2cc(Br)ccc2-c2ccc(Br)c3cccc1c23- InChIKey
XBZKJGBIPSQKAU-UHFFFAOYSA-N- Molecular formula
- C17H8Br2O
- Average molar mass
- 388.1 g/mol
- Monoisotopic mass
- 385.89419
Names & identifiers
- Preferred name
- 7H-Benz(de)anthracen-7-one, 3,9-dibromo-
- IUPAC
- 3,9-dibromobenzo[b]phenalen-7-one
- English name
- 3,9-Dibromobenzanthrone
- Molecular formula
- C17H8Br2O
- Molecular weight
- 388.05
Names & synonyms
81-98-13,9-Dibrombenzanthrone2,7-Dibromomesobenzanthrone6-Bz-1-dibrombenzanthron3,9-Dibromo-7H-benz[de]anthracen-7-oneBenzanthrone, 3,9-dibromo-6-Bz-1-Dibrombenzanthron [Czech]EINECS 201-391-2NSC 84191BRN 20557123,9-Dibromo-7H-benz(de)anthracen-7-one7H-Benz(de)anthracen-7-one, 3,9-dibromo-
Show more names
3,9-dibromo-benzanthron3,9-DIBROMOMESOBENZANTHRON3,9-dibromo-7-benzo[b]phenalenone3,9-dibromobenzo[a]phenalen-7-one3,9-dibromobenzo[b]phenalen-7-one3,9-dibromobenz(de) anthracen-7-one
7H-Benz[de]anthracen-7-one, 3,9-dibromo-DTXSID40588613-07-00-02708 (Beilstein Handbook Reference)RefChem:547097DTXCID6048208201-391-23,9-Dibromobenzanthrone3,9-dibromo-7H-benzo[de]anthracen-7-one
Database identifiers
- CAS
81-98-1- PubChem CID
- 66498
- DTXSID
DTXSID4058861- EC Number
- 201-391-2
- Nikkaji
- J53.453F
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 255 · 255~256℃
- Boiling point
- 535.5 · 535.5±33.0 °C(Predicted)
- Density
- 1.836 · 1.836±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 81 · 81-98-1(CAS DataBase Reference)
- EPA Substance Registry System
- 7 H-Benz[de]anthracen-7-one, · 7H-Benz[de]anthracen-7-one, 3,9-dibromo- (81-98-1)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.
Not Classified
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7H-Benz[de]anthracen-7-one, 3,9-dibromo-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…