Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, nitro-
Basic information
- CAS
66085-76-5- Standard SMILES
O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccc([N+](=O)[O-])cc1-5- InChIKey
JMLRQFUKQHMMLV-UHFFFAOYSA-N- Molecular formula
- C34H15NO4
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.10010796
Names & identifiers
- Preferred name
- Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, nitro-
- IUPAC
- 8-nitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
- English name
- nitroviolanthrene-5,10-dione
- Molecular formula
- C34H15NO4
- Molecular weight
- 501.4872
Names & synonyms
Violanthrone, nitro-66085-76-5EINECS 266-134-9Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, nitro-Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, nitro-RefChem:558210Anthra9,1,2-cdebenzorstpentaphene-5,10-dione, nitro-2-nitroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dioneNitroviolanthrene-5,10-dioneDTXSID30867204JMLRQFUKQHMMLV-UHFFFAOYSA-NNS00122572
Database identifiers
- CAS
66085-76-5- PubChem CID
- 105263
- DTXSID
DTXSID30867204- EC Number
- 266-134-9
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- EPA Substance Registry System
- 9 · Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, nitro- (66085-76-5)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, nitro-
Anthra9,1,2-cdebenzorstpentaphene-5,10-dione, nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAnthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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