Sodium Anthraquinone-2-sulfonate - ≥98% , CAS No.131-08-8

CAS: 131-08-8 Cat. No.: S161129 Peso molecular: 310.26 Beilstein Registry Number: 3580452 Número EC: 205-009-5

GRADE & PURITY ≥98%

Synonyms

EINECS 205-009-5 | 9,10-Anthraquinone-2-sodium sulfonate | DTXCID2024535 | DTXSID4044535 | W-108339 | Anthraquinone-2-sodium sulfonate | MFCD00001229 | A0508 | UNII-511H72SDVX | 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt | NSC-215188

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 205-009-5 | 9, 10-Anthraquinone-2-sodium sulfonate | DTXCID2024535 | DTXSID4044535 | W-108339 | Anthraquinone-2-sodium sulfonate | MFCD00001229 | A0508 | UNII-511H72SDVX | 2-Anthracenesulfonic acid, 9, 10-dihydro-9, 10-dioxo-, sodium salt | NSC-215188

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200372
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate
• InChIKey: GGCZERPQGJTIQP-UHFFFAOYSA-M
• INCHI: 1S/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• RTECS: CB1095550
• CAS alternativo: 153277-35-1
• Peso molecular: 310.26
• Beilstein: 3580452
• Reaxy-Rn: 3580452

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: 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Organic alkali metal salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >320°C
• Peso molecular: 310.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 309.991 Da
• Monoisotopic Mass: 309.991 Da
• Topological Polar Surface Area: 99.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 538.000
• 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: 2

XLogP3

Referencias

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