Solvent Blue 97 - Strength 99% , CAS No.32724-62-2

CAS: 32724-62-2 Cat. No.: S335519 Peso molecular: 530.71 Número EC: 251-178-3 PubChem CID: 122937

GRADE & PURITY Strength 99%

Synonyms

1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone | UNII-473B173459 | Solvent Blue 97, Technical grade | 1,4-Bis((2,6-diethyl-4-methylphenyl)amino)-9,10-anthracenedione | 1,4-Bis((2,6-diethyl-4-methylphenyl)amino)anthraquinone | DTXSID5067710 | 1,4-

Storage

Room temperature

Shipped In

Normal

Descripción general

Solvent Blue 97 is an anthraquinone blue chromogenic dye. It is a solvent soluble dye for plastics with high heat stability, good lightfastness and weather resistance, high color strength and outstanding brilliance.

Specifications

Sinónimos

1, 4-bis[(2, 6-diethyl-4-methylphenyl)amino]anthraquinone | UNII-473B173459 | Solvent Blue 97, Technical grade | 1, 4-Bis((2, 6-diethyl-4-methylphenyl)amino)-9, 10-anthracenedione | 1, 4-Bis((2, 6-diethyl-4-methylphenyl)amino)anthraquinone | DTXSID5067710 | 1, 4-

Especificaciones y pureza

Strength 99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504756887
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756887
• Sonrisas canónicas: CCC1=CC(=CC(=C1NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4CC)C)CC)C(=O)C5=CC=CC=C5C3=O)CC)C
• IUPAC Name: 1,4-bis(2,6-diethyl-4-methylanilino)anthracene-9,10-dione
• InChIKey: IBABXJRXGSAJLQ-UHFFFAOYSA-N
• INCHI: 1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3
• Isómeros SMILES: CCC1=CC(=CC(=C1NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4CC)C)CC)C(=O)C5=CC=CC=C5C3=O)CC)C
• CAS alternativo: 61969-44-6
• PubChem CID: 122937
• Peso molecular: 530.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Aniline and substituted anilines Aminotoluenes Vinylogous amides Secondary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aryl ketone - Aniline or substituted anilines - Aminotoluene - Toluene - Monocyclic benzene moiety - Vinylogous amide - Ketone - Secondary amine - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (Partly miscible).
• Peso molecular: 530.700 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 530.293 Da
• Monoisotopic Mass: 530.293 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 775.000
• 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