Basic information
- CAS
1785-51-9- Standard SMILES
O=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O- InChIKey
YFPSDOXLHBDCOR-UHFFFAOYSA-N- Molecular formula
- C16H8O2
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.05242949
Overview
Pyrene-1,6-dione is a member of pyrenes.
Names & identifiers
- Preferred name
- 1,6-Pyrenedione
- IUPAC
- pyrene-1,6-dione
- English name
- pyrene-1,6-dione
- Molecular formula
- C16H8O2
- Molecular weight
- 232.23
Names & synonyms
1,6-PYRENEDIONEPyrene-1,6-dionePyrenequinone1785-51-91,6-Pyrenequinone3,8-Pyrenedione3,8-PyrenequinoneEU5GO38I7HNSC-142616DTXSID4061967pyrene-1,6-quinoneRefChem:417728
Show more names
1,6-Dihydropyrene-1,6-dione
DTXCID9035674217-238-816-PyrenedioneCCRIS 5485EINECS 217-238-8UNII-EU5GO38I7HNSC 142616BRN 1963133
Database identifiers
- CAS
1785-51-9- PubChem CID
- 15699
- DTXSID
DTXSID4061967- ChEBI
CHEBI:81608- UNII
- EU5GO38I7H
- EC Number
- 217-238-8
- Nikkaji
- J203.180I
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
- 429
Physicochemical properties
- Melting point
- 309 °C · 309 °C
- Boiling point
- 314.4 °C · 314.4°C (rough estimate)
- Density
- 1.226 · 1.2260 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 GO38I7H · EU5GO38I7H
- EPA Substance Registry System
- 1 · 1,6-Pyrenedione (1785-51-9)
- 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 Information1,6-Pyrenedione: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers4 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Additional notes
DefinitionChEBI: Pyrene-1,6-dione is a member of pyrenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…