CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Dyes -> Anthraquinone Dyes |
COMPUTED DESCRIPTORS
| Molecular Weight | 774.2 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 9 |
| Exact Mass | 773.0071457 g/mol |
| Monoisotopic Mass | 773.0071457 g/mol |
| Topological Polar Surface Area | 323 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1640 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Reactive Blue 5 is anthraquinone carrying amino, sulfo and [3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino substituents at positions 1, 2 and 4 respectively. It has a role as a dye. It is a conjugate acid of a Reactive Blue 5(3-).