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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate

Inventory

EC number:
229-129-2
EC name:
Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate
CAS number:
6416-66-6
CAS number:
6416-66-6
Synonyms
Names:
2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl) azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino ]-, disodium salt
2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino ]-, disodium salt
2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt
Identifier:
IUPAC name
disodium 3-[(E)-2-(5-chloro-2-phenoxyphenyl)diazen-1-yl]-4-hydroxy-5-(4-methylbenzenesulfonamido)naphthalene-2,7-disulfonate
Identifier:
IUPAC name
2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl) azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino ]-, disodium salt
Identifier:
IUPAC name
Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate
Identifier:
IUPAC name
disodium (E)-3-((5-chloro-2-phenoxyphenyl) diazenyl]-4-hydroxy-5-((4-methylphenyl) sulphonamido) naphthalene-2,7-disulfonate
Identifier:
IUPAC name
disodium 3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate
Identifier:
IUPAC name
disodium 3-[(E)-2-(5-chloro-2-phenoxyphenyl)diazen-1-yl]-4-hydroxy-5-(4-methylbenzenesulfonamido)naphthalene-2,7-disulfonate
Identifier:
IUPAC name
disodium 3-[(E)-2-(5-chloro-2-phenoxyphenyl)diazen-1-yl]-4-hydroxy-5-(4-methylbenzenesulfonamido)naphthalene-2,7-disulfonate
Identifier:
common name
Rouge Sulfone Brillant B
Identifier:
other: Molecular formula
C29H20ClN3Na2O10S3
Identifier:
other: Molecular formula
C29H22ClN3O10S3.2Na
Identifier:
other: SMILES notation
C29H22ClN3O10S3.2Na
Identifier:
other: InChl
InChI=1/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
Identifier:
other: InChl
InChI=1S/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-31+;;
Identifier:
other: SMILES notation
[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(cc3cc(c(\N=N\c4cc(Cl)ccc4Oc5ccccc5)c(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-]
Identifier:
other: SMILES notation
[Na+].[Na+].Clc5cc(N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(Oc4ccccc4)cc5

Molecular and structural information

Molecular formula:
C29H20ClN3O10S3.2Na
Molecular weight:
ca. 748.11
SMILES notation:
[Na+].[Na+].Clc5cc(/N=N/c2c(O)c3c(NS(=O)(=O)c1ccc(C)cc1)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(Oc4ccccc4)cc5
InChl:
1/C29H22ClN3O10S3.2Na/c1-17-6-5-9-21(12-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)10-11-25(23)43-20-7-3-2-4-8-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-31+;;
Structural formula:
Chemical structure

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