CAS 78952-61-1

2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?)

Description:

2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?) is a complex organic compound characterized by its sulfonic acid groups, which impart high water solubility and make it suitable for various applications, particularly in dye chemistry and as a reagent in analytical chemistry. The presence of multiple functional groups, including sulfonic acid, hydroxy, and amino groups, contributes to its reactivity and potential as a dye intermediate or a colorant. This compound is often utilized in the synthesis of azo dyes due to its diazenyl structure, which is known for its vibrant colors. Additionally, the chlorine substituent and the triazine ring enhance its stability and reactivity, making it useful in various industrial applications. Safety data should be consulted for handling, as compounds with sulfonic acid and amine functionalities can pose health risks.

Formula: C₂₇H₂₂ClN₇O₁₆S₅·xNa

InChI: InChI=1S/C27H22ClN7O16S5.Na/c28-25-31-26(29-16-2-1-3-18(12-16)53(39,40)41)33-27(32-25)30-20-13-19(54(42,43)44)10-14-11-21(55(45,46)47)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)52(37,38)9-8-51-56(48,49)50;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);

InChI key: InChIKey=VRUBTRYBONLGIE-UHFFFAOYSA-N

SMILES: N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4N=C(NC5=CC(S(=O)(=O)O)=CC=C5)N=C(Cl)N4.[Na]

Synonyms:

• 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt
• 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?)