Cas no 6854-81-5 (Benzenesulfonic acid,2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-,tetrasodium salt (9CI))

Benzenesulfonic acid,2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-,tetrasodium salt (9CI) structure
6854-81-5 structure
Product Name:Benzenesulfonic acid,2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-,tetrasodium salt (9CI)
CAS No:6854-81-5
MF:C57H52N14Na4O
MW:1041.07507324219
CID:504846
PubChem ID:16131224
Update Time:2025-04-19

Benzenesulfonic acid,2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-,tetrasodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-,tetrasodium salt (9CI)
    • Benzenesulfonic acid,2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo
    • tetrasodium 2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]
    • Tetrasodium 2,2'-{carbonylbis[imino(2-methyl-4,1-phenylene)-2,1-d iazenediyl(2-methyl-4,1-phenylene)-2,1-diazenediyl]}bis{5-[(4-sul fonatophenyl)diazenyl]benzenesulfonate}
    • C.I. Direct Brown 106
    • Tetrasodium 2,2'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo))bis(5-((4-sulphonatophenyl)azo)benzenesulphonate)
    • tetrasodium 2-[2-methyl-4-[2-methyl-4-[[3-methyl-4-[3-methyl-4-[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]azo-phenyl]azo-phenyl]carbamoylamino]phenyl]azo-phenyl]azo-5-(4-sulfonatophenyl)azo-benzenesulfonate
    • C.I. 36200
    • Benzenesulfonic acid, 2,2'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo))bis(5-((4-sulfophenyl)azo)-, tetrasodium salt
    • Tetrasodium;1,3-bis[3-methyl-4-[[3-methyl-4-[[2-methyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]urea
    • 6854-81-5
    • EINECS 229-950-6
    • Inchi: 1S/C57H52N14O.4Na/c1-35-9-13-43(14-10-35)60-62-47-19-25-53(39(5)31-47)68-70-55-27-21-49(33-41(55)7)64-66-51-23-17-45(29-37(51)3)58-57(72)59-46-18-24-52(38(4)30-46)67-65-50-22-28-56(42(8)34-50)71-69-54-26-20-48(32-40(54)6)63-61-44-15-11-36(2)12-16-44;;;;/h9-34H,1-8H3,(H2,58,59,72);;;;/q;4*+1/b62-60+,63-61+,66-64+,67-65+,70-68+,71-69+;;;;
    • InChI Key: WXXYTGJVHGULRY-BGOLASLOSA-N
    • SMILES: [Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(C(C)=C1)/N=N/C1C=CC(=C(C)C=1)/N=N/C1C=CC(=CC=1C)/N=N/C1C=CC(C)=CC=1)NC1=CC=C(C(C)=C1)/N=N/C1C=CC(=C(C)C=1)/N=N/C1C=CC(=CC=1C)/N=N/C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 1300.1379
  • Monoisotopic Mass: 1040.403931
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 76
  • Rotatable Bond Count: 14
  • Complexity: 1710
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 189

Experimental Properties

  • PSA: 418.25
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