Solvent Green 28 - ≥95% , CAS No.28198-05-2

CAS: 28198-05-2 Cat. No.: S695610 Numero EC: 248-895-9 PubChem CID: 119890

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)CCCC)C(=O)C5=C(C=CC(=C5C3=O)O)O
• IUPAC Name: 1,4-bis(4-butylanilino)-5,8-dihydroxyanthracene-9,10-dione
• InChIKey: KTEFLEFPDDQMCB-UHFFFAOYSA-N
• INCHI: 1S/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3
• Isomeri SMILES: CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)CCCC)C(=O)C5=C(C=CC(=C5C3=O)O)O
• CAS alternativo: 28198-05-2
• PubChem CID: 119890

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Vinylogous acids Secondary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aryl ketone - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous amide - Vinylogous acid - Ketone - Secondary amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 534.600 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 534.252 Da
• Monoisotopic Mass: 534.252 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 766.000
• 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

Riferimenti

1. Wendie Zhu, Chenkai Tou, Caixia Liu, Huihui Liu, Xin Tao, Yan Wu, Yan Zhao.  (2026)  A facile strategy towards optically tunable, anthraquinone-dyed transparent bamboo.  Wood Material Science & Engineering,      [PMID:] [10.1080/17480272.2026.2625799]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 28198-05-2. InChIKey KTEFLEFPDDQMCB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.