6,7-Dinitro-benzo[de]isochromene-1,3-dione
Basic information
- CAS
3807-78-1- Standard SMILES
O=C1OC(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c23- InChIKey
FQRCSJLFCQWWBV-UHFFFAOYSA-N- Molecular formula
- C12H4N2O7
- Average molar mass
- 288.17 g/mol
- Monoisotopic mass
- 288.00185047
Names & identifiers
- Preferred name
- 6,7-Dinitro-benzo[de]isochromene-1,3-dione
- IUPAC
- 8,10-dinitro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
- English name
- 4,5-Dinitro-1, 8-naphthalenedicarboxylic anhydride
- Molecular formula
- C12H4N2O7
- Molecular weight
- 288.16936
Names & synonyms
6,7-Dinitro-benzo[de]isochromene-1,3-dione3807-78-16,7-Dinitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneNSC 1444466,7-DINITRO-BENZO(DE)ISOCHROMENE-1,3-DIONE4,5-Dinitro-1, 8-naphthalenedicarboxylic anhydrideSCHEMBL4150369Naphthalic anhydride,5-dinitro-DTXSID103015754,8-naphthalenedicarboxylic anhydrideNSC144446AKOS003242146
Show more names
4,5-dinitro-1,8-naphthalic anhydride6,7-dinitro-1H,3H-benzo[de]isochromene-1,3-dione
NSC-144446DS-0051441H,8-cd]pyran-1,3-dione, 6,7-dinitro-4,5-dinitronaphthalene-1,8-di-carboxylic anhydride
Database identifiers
- CAS
3807-78-1- PubChem CID
- 286362
- DTXSID
DTXSID10301575- EC Number
- 152-465-5
- Nikkaji
- J846.200C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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