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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
dilithium(1+) disodium (1Z)-bis({4-[(1E)-2-(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methoxyphenyl})diazen-1-ium-1-olate

Inventory

EC number:
285-749-3
EC name:
3,3'-[azoxybis[(2-methoxy-p-phenylene)azo]]bis[4,5-dihydroxynaphthalene-2,7-disulphonic] acid, lithium sodium salt
CAS number:
85136-25-0
CAS number:
85136-25-0
Synonyms
Names:
Identifier:
EC name
2,7-Naphthalenedisulfonic acid, 3,3'-(azoxybis((2-methoxy-4,1-phenylene)azo))bis(4,5-dihydroxy-, lithium sodium salt
Identifier:
IUPAC name
3,3'-[azoxybis[(2-methoxy-p-phenylene)azo]]bis[4,5-dihydroxynaphthalene-2,7-disulphonic] acid, lithium sodium salt
Identifier:
IUPAC name
[x.Sodium y.Lithium, x+y=4] 3,3'-[(1-oxido-1,2-diazenediyl)bis[(2-methoxy-1,4-phenylene)-1,2-diazenediyl]]bis[4,5-dihydroxy-2,7-naphthalenedisulphonate]
Identifier:
IUPAC name
dilithium;disodium;3-[(E)-[4-[(Z)-[[4-[(E)-(1,8-dihydroxy-3,6-disulfonato-2-naphthyl)azo]-3-methoxy-phenyl]-oxido-iminio]amino]-2-methoxy-phenyl]azo]-4,5-dihydroxy-naphthalene-2,7-disulfonate
Identifier:
Colour Index
Direct Blue 281
Identifier:
other: Molecular formula
C34 H26 N6 O19 S4 xNa
Identifier:
other: Molecular formula
C34H26N6O19S4xNa
Identifier:
other: SMILES notation
[Li+].[Li+].COC1=CC(=NN(C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)O)C=CC1=NN=C5C(=CC6=CC(=CC(=C6C5=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Identifier:
other: SMILES notation
[Li+].[Li+].[Na+].[Na+].COc1cc(ccc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])N=[N+]([O-])c4ccc(N=Nc5c(O)c6c(O)cc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-])c(OC)c4
x·sodium y·Lithium 3,3'-[(1-oxido-1,2-diazenediyl)bis[(2-methoxy-1,4-phenylene)-1,2-diazenediyl]]bis[4,5-dihydroxy-2,7-naphthalenedisulfonate]

Molecular and structural information

Molecular formula:
C34H22N6O19S4 NaxLiy (x+y=4)
Molecular weight:
>= 974.59 - <= 1 038.79
SMILES notation:
[Li+].[Li+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(O)c6c(O)c(/N=N/c1ccc(cc1OC)\N=N(=O)c4ccc(/N=N/c3c(O)c2c(cc(cc2O)S([O-])(=O)=O)cc3S([O-])(=O)=O)c(OC)c4)c(cc6c5)S([O-])(=O)=O
InChl:
InChI=1S/C34H26N6O19S4.2Li.2Na/c1-58-25-11-17(3-5-21(25)35-37-31-27(62(52,53)54)9-15-7-19(60(46,47)48)13-23(41)29(15)33(31)43)39-40(45)18-4-6-22(26(12-18)59-2)36-38-32-28(63(55,56)57)10-16-8-20(61(49,50)51)14-24(42)30(16)34(32)44;;;;/h3-14,36,41-42,45H,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4/b35-21-,37-31-,38-32+,39-17+;;;;
Structural formula:
Chemical structure

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