Basic information
- CAS
42286-46-4- Standard SMILES
O=c1c(=O)c2cc3ccccc3c3ccc4cccc1c4c23- InChIKey
HLCJPUJUJMVQRZ-UHFFFAOYSA-N- Molecular formula
- C20H10O2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.06807956
Names & identifiers
- Preferred name
- Benzo[a]pyrene-4,5-dione
- IUPAC
- benzo[a]pyrene-4,5-dione
- English name
- 4,5-BENZO(A)PYRENEQUINONE
- Molecular formula
- C20H10O2
- Molecular weight
- 282.29
Names & synonyms
benzo[a]pyrene-4,5-dione42286-46-4benzo[a]pyrene-4,5-quinoneBENZO(A)PYRENE-4,5-DIONEBenzo(a)pyrene-4,5-quinoneCCRIS 2131Benzo(a)pyrene 4,5-dioneBRN 1983029DTXSID101951184-07-00-02683 (Beilstein Handbook Reference)Benzo[a]pyrene-4,5(4H,5H)-dioneBENZO[A]PYRENE 4,5-DIONE
Show more names
Benzo(a)pyrene-4,5(4H,5H)-dioneRefChem:118175DTXCID20117609HLCJPUJUJMVQRZ-UHFFFAOYSA-NBenzo[pqr]tetraphene-4,5-dione4,5-Benzo[a]pyrenequinone; Benzo[pqr]tetraphene-4,5-dione;4,5-BENZO(A)PYRENEQUINONEMFCD00870658
Database identifiers
- CAS
42286-46-4- PubChem CID
- 39171
- DTXSID
DTXSID10195118- Nikkaji
- J875.362H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Melting point
- 253 · 253-254 °C
- Boiling point
- 554.9 · 554.9±17.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Orange to Dark Red
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesBenzo[a]pyrene-4,5-quinone is the oxygenated polycyclic aromatic hydrocarbon found in urban aerosols.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…