CAS 6739-62-4

Benzoic acid, 2-[2-[2-amino-6-[2-[4′-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-, sodium salt (1:3)

Description:

Benzoic acid, 2-[2-[2-amino-6-[2-[4′-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-, sodium salt (1:3), commonly known by its CAS number 6739-62-4, is a complex organic compound characterized by its azo dye structure. This substance features multiple functional groups, including amino, carboxylic acid, and sulfonic acid groups, which contribute to its solubility in water and potential applications in dyeing and biological systems. The presence of nitro and hydroxy groups enhances its reactivity and potential for forming hydrogen bonds, influencing its interactions in various chemical environments. As a sodium salt, it is likely to exhibit increased stability and solubility compared to its acid form. This compound is often utilized in research and industrial applications, particularly in the fields of dye chemistry and biochemistry, due to its vivid coloration and ability to bind to various substrates. Its complex structure may also suggest potential for specific biological activities, warranting further investigation.

Formula: C₃₈H₂₈N₈O₁₃S·3Na

InChI: InChI=1S/C38H28N8O13S.3Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;;;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);;;

InChI key: InChIKey=HAFAULQWRNLKJW-UHFFFAOYSA-N

SMILES: N(=NC1=C(C(O)=O)C=C(N(=O)=O)C=C1)C=2C3=C(C(O)=C(N=NC4=C(OC)C=C(C=C4)C5=CC(OC)=C(N=NC6=CC(C(O)=O)=C(O)C=C6)C=C5)C(S(=O)(=O)O)=C3)C=CC2N.[Na]

Synonyms:

• Benzo Cuprol Black RLW
• Benzoic acid, 2-(2-(2-amino-6-(2-(4'-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-7-sulfo-1-naphthalenyl)diazenyl)-5-nitro-, sodium salt (1:3)
• Benzoic acid, 2-[[2-amino-6-[[4′-[(3-carboxy-4-hydroxyphenyl)azo]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]azo]-5-hydroxy-7-sulfo-1-naphthalenyl]azo]-5-nitro-, trisodium salt
• Cuprophenyl Black RL
• Trisodium 2-[[2-Amino-6-[4-[4-(3-Carboxylato-4-Hydroxy-Phenyl)Azo-3-Methoxy-Phenyl]-2-Methoxy-Phenyl]Azo-5-Hydroxy-7-Sulfonato-1-Naphthyl]Azo]-5-Nitro-Benzoate
• trisodium 2-{(E)-[(6E)-2-amino-6-(2-{4'-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3,3'-dimethoxybiphenyl-4-yl}hydrazinylidene)-5-oxo-7-sulfonato-5,6-dihydronaphthalen-1-yl]diazenyl}-5-nitrobenzoate
• C.I. Direct Black 21, trisodium salt
• C.I. Direct Black 91
• C.I. 30400
• C.I. Direct Black 91
• C.I. Direct Black 91, trisodium salt

Direct black 91

CAS: 6739-62-4

Formula: C₃₈H₂₅N₈Na₃O₁₃S

Molecular weight: 902.69

Ref: 4Z-D-164043