CAS 67827-60-5

2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)

Description:

2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1), with CAS number 67827-60-5, is a complex organic compound characterized by its sulfonic acid group, which enhances its solubility in water and makes it useful in various applications. This compound features an anthracene backbone, which contributes to its potential as a dye or pigment due to the conjugated system that allows for light absorption. The presence of amino groups suggests that it may participate in various chemical reactions, including coupling reactions, making it valuable in synthetic organic chemistry. Additionally, the benzoylamino and trimethylphenyl substituents indicate that it may exhibit unique electronic properties and steric effects, influencing its reactivity and interaction with other molecules. As a sodium salt, it is likely to be more stable and easier to handle in aqueous solutions, making it suitable for use in biological or industrial applications. Overall, this compound's structural features suggest versatility in both chemical reactivity and application potential.

Formula: C₃₁H₂₇N₃O₆S·Na

InChI: InChI=1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);

InChI key: InChIKey=BRWIWWKGVYIAPE-UHFFFAOYSA-N

SMILES: N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(C)C(CNC(=O)C5=CC=CC=C5)=C(C)C=C4C.[Na]

Synonyms:

• 2-Anthracenesulfonic acid, 1-amino-4-((3-((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, monosodium salt
• 2-Anthracenesulfonic acid, 1-amino-4-((3-((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
• Bemacid Blue N-TF
• Sodium 1-Amino-4-({3-[(Benzoylamino)Methyl]-2,4,6-Trimethylphenyl}Amino)-9,10-Dioxo-9,10-Dihydroanthracene-2-Sulfonate
• Sodium 1-amino-4-((3-((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate