2-Nitrobenzanthrone
Basic information
- CAS
111326-48-8- Standard SMILES
O=C1c2ccccc2-c2cc([N+](=O)[O-])cc3cccc1c23- InChIKey
IQECYNRTSSZPRQ-UHFFFAOYSA-N- Molecular formula
- C17H9NO3
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.05824315
Names & identifiers
- Preferred name
- 2-Nitrobenzanthrone
- IUPAC
- 2-nitrobenzo[b]phenalen-7-one
Names & synonyms
2-nitrobenzanthroneDTXSID401346172111326-48-8RefChem:477187DTXCID301774841634-574-42-nitrobenzo[b]phenalen-7-oneCHEMBL412430AKOS024340937
Database identifiers
- CAS
111326-48-8- PubChem CID
- 5228465
- DTXSID
DTXSID401346172- ChEMBL
CHEMBL412430- EC Number
- 634-574-4
- Nikkaji
- J907.763D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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