ciba blue 2b - Biological stain , CAS No.2475-31-2

CAS: 2475-31-2 Cat. No.: C480707 Summenformel: C₁₆H₆Br₄N₂O₂ Molekulargewicht: 577.852 EG-Nummer: 219-598-1

GRADE & PURITY Biological stain

Synonyms

(E)-5,5',7,7'-TETRABROMO-1H,1'H,3H,3'H-[2,2'-BIINDOLYLIDENE]-3,3'-DIONE | Brilliant Indigo 4BV | NSC 400980 | Tetra Blue 2B | SR-01000389040-1 | Sulfanthrene Blue 2B | Amanthrene Navy Blue new | 5.5'.7.7'-Tetrabromindigo | Ciba Brilliant Blue BS | SCHEMBL

Storage

Room temperature

Specifications

Synonyme

(E)-5,5',7,7'-TETRABROMO-1H,1'H,3H,3'H-[2,2'-BIINDOLYLIDENE]-3,3'-DIONE | Brilliant Indigo 4BV | NSC 400980 | Tetra Blue 2B | SR-01000389040-1 | Sulfanthrene Blue 2B | Amanthrene Navy Blue new | 5.5'.7.7'-Tetrabromindigo | Ciba Brilliant Blue BS | SCHEMBL

Spezifikationen & Reinheit

Biological stain

Storage

Room temperature

Note

Biological stain

Namen und Kennungen

• Kanonisches Lächeln: C1=C(C=C(C2=C1C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4Br)Br)O)Br)Br
• IUPAC Name: 5,7-dibromo-2-(5,7-dibromo-3-hydroxy-1H-indol-2-yl)indol-3-one
• InChIKey: ZLHGTHCCYUEAIK-UHFFFAOYSA-N
• 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/h1-4,21,23H
• Isomere SMILES: C1=C(C=C(C2=C1C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4Br)Br)O)Br)Br
• Molekulargewicht: 577.852
• Reaxy-Rn: 61132884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61132884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Aryl ketones Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Aryl ketone - Benzenoid - Substituted pyrrole - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Ketone - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Imine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 577.800 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 577.712 Da
• Monoisotopic Mass: 573.716 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 574.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1