3H-Indol-3-one, 5-bromo-2-(9-chloro-3-oxonaphtho(1,2-b)thien-2(3H)-ylidene)-1,2-dihydro-
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Basic information
- CAS
1328-19-4- Standard SMILES
O=C1C(c2sc3c(ccc4cccc(Cl)c43)c2O)=Nc2ccc(Br)cc21- InChIKey
MJURASYNFLAELQ-CAPFRKAQSA-N- Molecular formula
- C20H9BrClNO2S
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 440.92259
Names & identifiers
- Preferred name
- 3H-Indol-3-one, 5-bromo-2-(9-chloro-3-oxonaphtho(1,2-b)thien-2(3H)-ylidene)-1,2-dihydro-
- IUPAC
- 5-bromo-2-(9-chloro-3-hydroxybenzo[g][1]benzothiol-2-yl)indol-3-one
- English name
- vat black 16
- Molecular formula
- C20H9BrClNO2S
- Molecular weight
- 442.71296
Names & synonyms
Vat Black 1Helanthrene Black BLThioindigo Black3687-67-0Tina printing Black BLTina Grey BLNako Fast Grey BLSolanthrene Grey BL1328-19-4Paradone Printing Black BLSFParadone Printing Black TLSFC.I. Vat Black 1
Show more names
Grey 3BC.I.59855vat black 16Novatic Grey 3BNavinon Grey 3BCaledon Grey 3BTyrian Grey I 3BParadone Grey 3BNavinon Black SNAC.I. Vat black 16
Solanthrene Printing Black BLDurindone Printing Black BLIndanthrene Printing Black BLSolanthrene Printing Black TLSolanthrene Printing Black BLNSolanthrene Printing Black TLN3H-Indol-3-one, 5-bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thien-2(3H)-ylidene)-1,2-dihydro-EINECS 222-983-7
Database identifiers
- CAS
1328-19-4、3687-67-0- PubChem CID
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- CAS DataBase Reference
- 1328 · 1328-19-4
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% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Indol-3-one, 5-bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thien-2(3H)-ylidene)-1,2-dihydro-: INACTIVE
Preparation methods
PreparationDinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione in concentrated sulfuric acid with hydroxylamine processing.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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