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Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
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

Inventory

EC number:
229-326-3
EC name:
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
CAS number:
6473-13-8
CAS number:
6473-13-8
Synonyms
Names:
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-sulfopheny l]azo]-4-hydroxy-, trisodium 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
Negro Hispamin CA 1200%
Identifier:
IUPAC name
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
Identifier:
IUPAC name
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
Identifier:
IUPAC name
trisodium 6-[(2,4-diaminophenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate
Identifier:
other: Molecular formula
C44H35N13O11S3.3Na
Identifier:
other: InChl
InChI=1/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].NC1=CC(N)=C(C=C1)\N=N/C1=CC2=C(O)C(\N=N/C3=CC(=C(NC4=CC=C(C=C4)\N=N\C4=C(O)C5=C(C=CC(=C5)\N=N\C5=C(N)C=C(N)C=C5)C=C4S([O-])(=O)=O)C=C3)S([O-])(=O)=O)=C(C=C2C=C1)S([O-])(=O)=O
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].Nc1ccc(\N=N\C2=CC3C(C=C2)C=C(C(\N=N\c2ccc(Nc4ccc(cc4S([O-])(=O)=O)\N=N\C4=C(O)C5=C(C=CC(=C5)\N=N\c5ccc(N)cc5N)C=C4S([O-])(=O)=O)cc2)=C3O)S([O-])(=O)=O)c(N)c1
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O

Molecular and structural information

Molecular formula:
C44H32N13O11S3Na3
Molecular weight:
ca. 1 083.97
SMILES notation:
[Na+].[Na+].[Na+].Nc8ccc(/N=N/c6cc7c(O)c(/N=N/c1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)/N=N\c3c(O)c4cc(ccc4cc3S([O-])(=O)=O)/N=N/c5ccc(N)cc5N)c(cc7cc6)S([O-])(=O)=O)c(N)c8
InChl:
InChI=1/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3/b54-51+,55-52+,56-50+,57-53-;;;
Structural formula:
Chemical structure

Related substances

Identifier:
EC number
Identity:
229-326-3