1,2,3-Trihydroxyanthraquinone - Moligand™, ≥98% , CAS No.602-64-2

CAS: 602-64-2 Cat. No.: A133937 Summenformel: C₁₄H₈O₅ Molekulargewicht: 256.21

GRADE & PURITY Moligand™, ≥98%

Synonyms

2,3,9-trihydroxy-1,10-anthraquinone | 845J3299E1 | BDBM50400184 | 1,3-Trihydroxyanthraquinone | ANTHRAQUINONE, 1,2,3-TRIHYDROXY- | Antragallol | Anthragallic acid | SCHEMBL555230 | 1,2,3-Trihydroxyanthra-9,10-quinone | AKOS022507284 | C.I. Mordant Brown 4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

2,3,9-trihydroxy-1,10-anthraquinone | 845J3299E1 | BDBM50400184 | 1,3-Trihydroxyanthraquinone | ANTHRAQUINONE, 1,2,3-TRIHYDROXY- | Antragallol | Anthragallic acid | SCHEMBL555230 | 1,2,3-Trihydroxyanthra-9,10-quinone | AKOS022507284 | C.I. Mordant Brown 4

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528753590

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O

IUPAC Name

1,2,3-trihydroxyanthracene-9,10-dione

InChIKey

AHKDJQYHVWSRLT-UHFFFAOYSA-N

INCHI

1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H

Isomere SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O

Molekulargewicht

256.21

Reaxy-Rn

2058042

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058042&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyanthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
• External Descriptors: Anthraquinone type

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 241.7±23.8°C
• Flammpunkt (°C): 241.7±23.8°C
• Siedepunkt (°C): 452.7±40.0°C
• Molekulargewicht: 256.209 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 256.037 Da
• Monoisotopic Mass: 256.037 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 407.000
• 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