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Vat Blue 4B Structure

Vat Blue 4B

Chemical Properties

Boiling point 563.4±50.0 °C(Predicted)
Density  2.5583 (rough estimate)
refractive index  1.6300 (estimate)
Colour Index  73065
pka -7.15±0.20(Predicted)
form  solid
InChI InChI=1S/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H
InChIKey PTWYQANXSNMUTI-UHFFFAOYSA-N
SMILES N1C2=C(C=C(Br)C=C2Br)C(=O)C1=C1C(=O)C2=C(N1)C(Br)=CC(Br)=C2
CAS DataBase Reference 2475-31-2(CAS DataBase Reference)
NIST Chemistry Reference c.i. Vat blue 5(2475-31-2)
EPA Substance Registry System 3H-Indol-3-one, 5,7-dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- (2475-31-2)

Safety Information

WGK Germany  WGK 3
RTECS  NM3259100
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4

Usage And Synthesis

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