(2E)-6-Bromo-2-(3-Oxo-1,3-Dihydro-2H-Indol-2-Ylidene)-1,2-Dihydro-3H-Indol-3-One
[CAS 139582-54-0]

Identification

• Name: (2E)-6-Bromo-2-(3-Oxo-1,3-Dihydro-2H-Indol-2-Ylidene)-1,2-Dihydro-3H-Indol-3-One
• Synonyms: 6-Monobromoindigo; ZINC04293427
• Molecular Formula: C₁₆H₉BrN₂O₂
• Molecular Weight: 341.16
• CAS Registry Number: 139582-54-0
• SMILES: C1=CC=C2C(=C1)C(=O)/C(=C\3/C(=O)C4=C(N3)C=C(C=C4)Br)/N2
• InChI: 1S/C16H9BrN2O2/c17-8-5-6-10-12(7-8)19-14(16(10)21)13-15(20)9-3-1-2-4-11(9)18-13/h1-7,18-19H/b14-13+
• InChIKey: PMUIAXBFQHYSSX-BUHFOSPRSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 444.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 222.5±28.7°C (Cal.)
• Refractive index: 1.725 (Cal.)

References

• (1): López Chávez Felipe Javier, Chávez Patricia Ríos, Oyama Ken. Brominated precursors of Tyrian purple (C.I. Natural Violet 1) from Plicopurpura pansa, Plicopurpura columellaris and Plicopurpura patula, Dyes and Pigments, 2009