Acid blue 80 - Dye content 40 % , CAS No.4474-24-2

CAS: 4474-24-2 Cat. No.: A335776 Fórmula: C₃₂H₂₈N₂Na₂O₈S₂ Peso molecular: 678.68 Número CE: 224-748-4

GRADE & PURITY Dye content 40 %

Synonyms

UNII-ET8107F56D | 2-Mesitylenesulfonic acid, 4,4'-(1,4-anthraquinonylenediimino)di-, disodium salt | Alizarine Milling Blue R | BRILLIANT BLUE ANTHRAQUINONE | AKOS015903051 | Polar Brilliant Blue RAW | disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonat

Storage

Room temperature

Shipped In

Normal

Visão geral

Acid blue 80 is a water soluble, anionic dye. Acid blue 80 has been utilized in adsorption studies with alkaline white mud to analyze efficacy of this method for removing Acid blue 80 from the environment. Other studies have investigated various methods for removing this dye from effluents.|Other available Acid Blue dyes include:|Acid Blue 25 |Acid Blue 113 |Acid Blue 129 |Acid Blue 161

Specifications

Sinónimos

UNII-ET8107F56D | 2-Mesitylenesulfonic acid, 4,4'-(1,4-anthraquinonylenediimino)di-, disodium salt | Alizarine Milling Blue R | BRILLIANT BLUE ANTHRAQUINONE | AKOS015903051 | Polar Brilliant Blue RAW | disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonat

Especificações e pureza

Dye content 40 %

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

504752990

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752990

Sorrisos canónicos

CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+]

IUPAC Name

disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate

InChIKey

UHXQPQCJDDSMCB-UHFFFAOYSA-L

INCHI

1S/C32H30N2O8S2.2Na/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;;/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

SMILES isoméricas

CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+]

WGK Alemanha

2

RTECS

DB6083000

Peso molecular

678.68

Reaxy-Rn

8821951

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8821951&ln=

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: p-Methylbenzenesulfonates Benzenesulfonyl compounds Arylsulfonic acids and derivatives Aryl ketones Aniline and substituted anilines Vinylogous amides Sulfonyls Organosulfonic acids Secondary amines Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Aniline or substituted anilines - Aryl ketone - Monocyclic benzene moiety - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Organic alkali metal salt - Secondary amine - Amine - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): >300° C (lit.)
• Peso molecular: 678.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 678.108 Da
• Monoisotopic Mass: 678.108 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1180.000
• 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: 3

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