16-Nitroviolanthrone
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Basic information
- CAS
128-60-9- Standard SMILES
O=C1c2ccccc2-c2ccc3c4c([N+](=O)[O-])cc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5- InChIKey
LNNHYUOWYOSHPH-UHFFFAOYSA-N- Molecular formula
- C34H15NO4
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.10010796
Names & identifiers
- Preferred name
- 16-Nitroviolanthrone
- IUPAC
- 30-nitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione
- English name
- 16-nitroviolanthrene-5,10-dione
- Molecular formula
- C34H15NO4
- Molecular weight
- 501.4872
Names & synonyms
128-60-916-NitroviolanthroneAnthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16-nitro-16-nitroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione16-Nitroviolanthrene-5,10-dioneEINECS 204-898-7NITHRONAnthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 16-nitro-5444DF86I5DTXSID1059575VIOLANTHRONE, 16-NITRO-NITROANTHRA(9,1,2-CDE)BENZO(RST)PENTAPHENE-5,10-DIONE, 16-
Show more names
NITROVIOLANTHRONE1,2-cde]benzo[rst]pentaphene-5,10-dione, 16-nitro-anthra[16-nitro-Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione,
16-Nitroanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dioneRefChem:437516DTXCID4033899204-898-757455-91-1840-066-5VAT GREEN 9Indanthrene Black BBN
Database identifiers
- CAS
128-60-9、57455-91-1- PubChem CID
- 67187
- DTXSID
DTXSID1059575- UNII
- 5444DF86I5
- EC Number
- 204-898-7、840-066-5
- Nikkaji
- J34.356K
Properties
Computed structural propertiesFilling in
- 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
- Density
- 1.476 · 1.476[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 20 mg/L · 20mg/L at 20℃
- LogP
- 9.04 at · 9.04 at 20℃
- FDA UNII
- 5444 DF86I5 · 5444DF86I5
- EPA Substance Registry System
- 9 · Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16-nitro- (128-60-9)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (13 of 13) of all reports.
Not Classified
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Regulatory Information
Chemical: Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, 16-nitro-
REACH registered substance: 16-nitroviolanthrene-5,10-dione (EC: 204-898-7)
Hazard Classes and Categories
Not Classified
Not Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAnthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16-nitro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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