Basic information
- CAS
116-96-1- Standard SMILES
O=C1c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)C(=O)c3ccccc3-4)c3cccc1c23- InChIKey
ZSNLOGRWRVNZRH-UHFFFAOYSA-N- Molecular formula
- C34H18O2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.13067981
Names & identifiers
- Preferred name
- [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione
- IUPAC
- 3-(7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
- English name
- [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione
- Molecular formula
- C34H18O2
- Molecular weight
- 458.52
Names & synonyms
116-96-1[3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione3,3'-DibenzanthronylV3B35MQ834EINECS 204-166-7NSC 82340NSC-82340(3,3'-Bi-7H-benz(de)anthracene)-7,7'-dione3,3'-BIBENZANTHRONYLUNII-V3B35MQ834DTXSID1059442RefChem:69062
Show more names
3-(7-oxobenzo[a]phenalen-3-yl)benzo[a]phenalen-7-one3-(7-ketobenzo[a]phenalen-3-yl)benzo[a]phenalen-7-one
DTXCID503338113,13'-Dibenzanthronyl3-(7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one7H,7'H-[3,3'-Bibenzo[de]anthracene]-7,7'-dioneNSC82340(3,3'-BI-7H-BENZ(DE)ANTHRACENE)-7,7'-DIONE, TECH[3,7'-dioneSCHEMBL13045522
Database identifiers
- CAS
116-96-1- PubChem CID
- 67010
- DTXSID
DTXSID1059442- UNII
- V3B35MQ834
- EC Number
- 204-166-7
- Nikkaji
- J193.614J
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 820
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- FDA UNII
- 3 B35MQ834 · V3B35MQ834
- EPA Substance Registry System
- 3 · [3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione (116-96-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione: INACTIVE
Applications
UsesIntermediate.
Upstream & downstream products
Downstream products
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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