2-(4-aminophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Basic information
- CAS
57037-95-3- Standard SMILES
Nc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1- InChIKey
CDTNMMUXRATBRS-UHFFFAOYSA-N- Molecular formula
- C18H11N3O4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.07495584
Names & identifiers
- Preferred name
- 2-(4-aminophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
- IUPAC
- 2-(4-aminophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
- English name
- 2-(4-Aminophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
- Molecular formula
- C18H11N3O4
- Molecular weight
- 0
Names & synonyms
57037-95-32-(4-aminophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione2-(4-aminophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione2-(4-Aminophenyl)-6-nitro-1H-benz[de]isoquinoline-1,3(2H)-dioneDTXSID80368478C18H11N3O4CS-0221071EN300-08285SR-01000036839SR-01000036839-12-(4-aminophenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione3-(4-aminophenyl)-8-nitro-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Show more names
3-(4-aminophenyl)-8-nitro-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Database identifiers
- CAS
57037-95-3- PubChem CID
- 2396436
- DTXSID
DTXSID80368478
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- 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
Suppliers
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Related reactions
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Compound notes
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