Basic information
- CAS
67446-03-1- Standard SMILES
O=C1c2ccccc2-c2c([N+](=O)[O-])cc3c4cc([N+](=O)[O-])c5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5- InChIKey
PFCKWBBXWHDJRJ-UHFFFAOYSA-N- Molecular formula
- C34H14N2O6
- Average molar mass
- 546.5 g/mol
- Monoisotopic mass
- 546.08518617
Names & identifiers
- Preferred name
- Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 15,18-dinitro-
- IUPAC
- 29,33-dinitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
Names & synonyms
Vat Black KVat Black SANTHRA(9,1,2-cde)BENZO(rst)PENTAPHENE-5,10-DIONE, 15,18-DINITRO-67446-03-115,18-Dinitroanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dioneDTXSID9021778615,18-Dinitroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dioneRefChem:319708DTXCID40140277
Database identifiers
- CAS
67446-03-1- PubChem CID
- 49852
- DTXSID
DTXSID90217786- EC Number
- 842-381-3
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,120
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
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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