C.I. Direct black 22

Base Information

• Chemical Name: C.I. Direct black 22
• CAS No.: 6473-13-8
• Deprecated CAS: 11136-49-5,881844-06-0,881844-06-0
• Molecular Formula: C44H32N13Na3O11S3
• Molecular Weight: 1083.97
• European Community (EC) Number: 229-326-3,814-873-8,841-303-5
• DSSTox Substance ID: DTXSID7027629
• Mol file: 6473-13-8.mol

Synonyms:C.I. DIRECT BLACK 22;6473-13-8;CCRIS 1390;EINECS 229-326-3;trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;EINECS 280-246-5;C.I. Direct Black 22, sodium salt;2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt;Sodium 6-((2,4-diaminophenyl)diazenyl)-3-((4-((4-((7-((2,4-diaminophenyl)diazenyl)-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl)-2-sulfonatophenyl)amino)phenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonate;Trisodium 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate;2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, sodium salt;2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt;Direct Black 22, tech.;DTXSID7027629;MFCD00078136;AKOS025310834;LS-188385;C.I. 35435;W-110156;trisodium 6-[(E)-(2,4-diaminophenyl)diazenyl]-3-{(E)-[4-({4-[(E)-{7-[(E)-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate

Chemical Property of C.I. Direct black 22

Chemical Property:

• Appearance/Colour: black powder
• PSA: 452.19000
• LogP: 15.49070
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 10
• Exact Mass: 1083.11994525
• Heavy Atom Count: 74
• Complexity: 2220

Purity/Quality:

99% ^*data from raw suppliers

DirectBlack22 ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N=NC5=C(C=C(C=C5)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C7C=CC(=CC7=C6O)N=NC8=C(C=C(C=C8)N)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• Uses: Direct Black 22 is a polyimidazolium salt and an organic dye used in the textile industry. Direct Black 22 is considered a water pollutant, and is removed from wastewater by degradation.