5,8-Dihydroquinoline-5,8-dione
Basic information
- CAS
10470-83-4- Standard SMILES
O=C1C=CC(=O)c2ncccc21- InChIKey
NVJSPQCVDHGYRE-UHFFFAOYSA-N- Molecular formula
- C9H5NO2
- Average molar mass
- 159.14 g/mol
- Monoisotopic mass
- 159.0320284
Names & identifiers
- Preferred name
- 5,8-Dihydroquinoline-5,8-dione
- IUPAC
- quinoline-5,8-dione
- English name
- 5,8-QUINOLINEQUINONE
- Molecular formula
- C9H5NO2
- Molecular weight
- 159.14
Names & synonyms
10470-83-45,8-Dihydroquinoline-5,8-dioneDTXSID10146665RefChem:1072277DTXCID7069156Quinoline-5,8-dione5,8-Quinolinedione5,8-QuinolinequinoneMFCD04038780quinoline-5,8-quinoneCHEMBL310185NSC682996
Show more names
DA 276NSC 682996
5,8-QinolinequinoneSCHEMBL1507074SCHEMBL7832139SCHEMBL297471185,8-dihydro-5,8-dioxoquinolineNVJSPQCVDHGYRE-UHFFFAOYSA-NAIDS000101AIDS-000101
Database identifiers
- CAS
10470-83-4- PubChem CID
- 388306
- DTXSID
DTXSID10146665- ChEMBL
CHEMBL310185- Nikkaji
- J765.140F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 129 ℃ · 129℃ (DEC.)
- Boiling point
- 333.6 · 333.6±42.0 °C(Predicted)
- Density
- 1.374 · 1.374
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.71 · -0.71±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
7 records
Compound notes
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