1,2-Aceanthrylenedione
Basic information
- CAS
6373-11-1- Standard SMILES
O=C1C(=O)c2c3ccccc3cc3cccc1c23- InChIKey
YAIBDWAANBTYIA-UHFFFAOYSA-N- Molecular formula
- C16H8O2
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.05242949
Names & identifiers
- Preferred name
- 1,2-Aceanthrylenedione
- IUPAC
- aceanthrylene-1,2-dione
- English name
- 1,2-Aceanthrylenedione
- Molecular formula
- C16H8O2
- Molecular weight
- 232.23
Names & synonyms
1,2-Aceanthrylenedione6373-11-1F84VGY5ACRNSC-245130DTXSID90311753RefChem:1052121DTXCID90262877aceanthrylene-1,2-dioneAceanthrenequinone1,2-Aceanthrenedione1,2-dihydroaceanthrylene-1,2-dioneUNII-F84VGY5ACR
Show more names
Aceanthrene-1,2-dioneAceanthrenequinone,95%Aceanthrenequinone 96%ACEANTHRENEQUINONE 99+%Aceanthrenequinone1,2-Aceanthrylenedione3,4-[1,3]Butadienoacenaphthene-1,2-dione
acenanthrene-9,10-dioneAceanthrenchinonMFCD00013265Aceanthrenequinone, 96%SCHEMBL579274CHEMBL235503BDBM228591,2-Dione-Based Compound, 16
Database identifiers
- CAS
6373-11-1- PubChem CID
- 316765
- DTXSID
DTXSID90311753- ChEMBL
CHEMBL235503- UNII
- F84VGY5ACR
- Nikkaji
- J8.388G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 270 · 270-273 °C (lit.)
- Boiling point
- 314.4 °C · 314.4°C (rough estimate)
- Density
- 1.226 · 1.2260 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- form
- solid
- InChI
- 1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H
- InChIKey
- YAIBDWAANBTYIA-UHFFFAOYSA-N
- SMILES
- O=C1C(=O)c2c3ccccc3cc4cccc1c24
- FDA UNII
- 84 VGY5ACR · F84VGY5ACR
- EPA Substance Registry System
- 1 · 1,2-Aceanthrylenedione (6373-11-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29146990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAceanthrenequinone was used in synthesis of spiro-tricyclic porphodimethenes.
General DescriptionAceanthrenequinone is a cyclic α-diketone. It reacts with hexaethyltriaminophosphine in the presence of fullerene C(60), to yield methanofullerene derivatives. Hydroxyalkylation reactions of aceanthrenequinone with a series of arenes was reported.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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