Basic information
- CAS
6373-20-2- Standard SMILES
O=C1c2cc(Cl)ccc2-c2cc(Cl)c3c4c(Cl)cc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1cc(Cl)ccc1-5- InChIKey
DCIGCIBVJSBHMN-UHFFFAOYSA-N- Molecular formula
- C34H12Cl4O2
- Average molar mass
- 594.3 g/mol
- Monoisotopic mass
- 591.95914
Names & identifiers
- Preferred name
- 3,12,16,17-Tetrachloroviolanthrene-5,10-dione
- IUPAC
- 9,24,30,34-tetrachlorononacyclo[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(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
- English name
- 3,12,16,17-tetrachloroviolanthrene-5,10-dione
- Molecular formula
- C34H12Cl4O2
- Molecular weight
- 594.27
Names & synonyms
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 3,12,16,17-tetrachloro-3,12,16,17-Tetrachloroviolanthrene-5,10-dioneDTXSID70642873,12,16,17-Tetrachloroanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dioneAnthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 3,12,16,17-tetrachloro-3,12,16,17-Tetrachloroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dioneDinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione, 3,12,16,17-tetrachloro-Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, 3,12,16,17-tetrachloro-RefChem:484813DTXCID3044091228-914-76373-20-2
Show more names
Vat blue 22 (C.I. 59820)C.I.Vat Blue 22:C.I.59820DCIGCIBVJSBHMN-UHFFFAOYSA-N
C.I. VAT BLUE 22Indanthren Navy Blue TRR9,24,30,34-tetrachlorononacyclo[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(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dionePalanthrene Navy Blue RBVat Blue 22EINECS 228-914-7C.I. 59820SCHEMBL31120785
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Density
- 1.4781 · 1.4781 (estimate)
- EPA Substance Registry System
- 9 · Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 3,12,16,17-tetrachloro- (6373-20-2)
- 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 Classification
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, 3,12,16,17-tetrachloro-
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, 3,12,16,17-tetrachloro-: ACTIVE
Applications
UsesC.I. Vat blue 22 is the most important colorant used to add color or change the color of something and is chemically essentially unaffected by the carrier or medium into which it is incorporated. It can be widely used in textile, medicine, food, cosmetics, plastics, paint, ink, photography and paper industries.
Preparation methods
PreparationDinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione in solvent (Phthalic anhydride or 1,2,4 – Trichlorobenzene) in 140 ~ 145 ℃ chlorinated.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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