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Basic information
- Standard SMILES
O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12- InChIKey
DCYIADGZPJOOFN-UHFFFAOYSA-N- Molecular formula
- C42H18N2O6
- Average molar mass
- 646.614 g/mol
- Monoisotopic mass
- 646.1164863
Names & identifiers
- Preferred name
- Vat brown 1
- IUPAC
- 6,23-Dihydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-5,7,12,17,22,24-hexone
- English name
- Vat Brown 1
- Molecular formula
- C42H18N2O6
- Molecular weight
- 646.6
Names & synonyms
Database identifiers
- CAS
104491-90-9、241813-60-5、2475-33-4、37400-11-6、39456-84-3- PubChem CID
- 62448
- DTXSID
DTXSID7026283- UNII
- 7B7O2R5Q9A
- EC Number
- 219-599-7、600-573-2、814-889-5、841-224-6、842-652-6
Properties
Physicochemical properties
- Boiling point
- 675.58 °C · 675.58°C (rough estimate)
- Density
- 1.2856 · 1.2856 (rough estimate)
- refractive index
- 1.467 · 1.4670 (estimate)
- pka
- 11.33 · 11.33±0.20(Predicted)
- LogP
- 8.52 · 8.52
- CAS DataBase Reference
- 2475 · 2475-33-4(CAS DataBase Reference)
- FDA UNII
- 7 B7O2R5Q9A · 7B7O2R5Q9A
- EPA Substance Registry System
- 1 · C.I. Vat Brown 1 (2475-33-4)
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesVat Brown 1 is mainly used for dyeing cotton fibers, exhibiting good leveling properties and moderate affinity. It is also used for dyeing viscose fibers, silk, vinylon, viscose-cotton blends, and vinylon-cotton blends. It can also be used in a co-bath hot-melt dyeing process with disperse dyes to dye polyester-cotton blends, with less staining on polyester. Vat Brown (BR) can also be blended with Vat Gray (BG) to dye coffee brown, and with Vat Gray (BG), Brown (GG), and Khaki (GG) to dye various grays and browns, making it a commonly used brown dye.
General DescriptionFine, dark brown to black crystalline powder with a slight odor.
Preparation methods
Preparation1,4-Diaminoanthraquinone and 1-Bromoanthracene-9,10-dione or 1-Bromoanthracene-9,10-dione (2 Moore) condensation, its product in Pyridine with Aluminium chloride heating.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers43 total
Related reactions
No reaction records under the current filter.
Linked notes
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