Registration Dossier

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
dipotassium disodium 2,4-diamino-5-(2-{2-sulfonato-4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)-3-(2-{4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)benzene-1-sulfonate

Inventory

EC number:
422-980-2
EC name:
Potassium,sodium 2,4-diamino-3-[4-(2-sulfonatoethoxysulfonyl)phenylazo]-5-[4-(2-sulfonatoethoxysulfonyl)-2-sulfonatophenylazo]-benzenesulfonate
CAS number:
-
Description:
ORANGE DER 8068
CAS number:
187026-95-5
Synonyms
Names:
FAT 40558/A
Identifier:
CAS number
187026-95-5
Identifier:
EC number
422-980-2
Identifier:
IUPAC name
Potassium, sodium 2,4-diamino-3-[4-(2-sulfonatoethoxysulfonyl)phenylazo]-5-[4-(2-sulfonatoethoxysulfonyl)-2-sulfonatophenylazo]-benzenesulfonate
Identifier:
IUPAC name
Potassium,sodium 2,4-Diamino-3-[4-(2-sulfonatoethoxys ulfonyl)phenylazo]-5-[4-(2-sulfonato ethoxysulfonyl)-2-sulfonatophenylazo ]-benzenesulfonate
Identifier:
IUPAC name
Potassium,sodium 2,4-Diamino-3-[4-(2-sulfonatoethoxysulfonyl)phenylazo]-5-[4-(2-sulfonatoethoxysulfonyl)-2-sulfonatophenylazo]-benzenesulfonate
Identifier:
IUPAC name
Potassium,sodium 2,4-diamino-3-[4-(2-sulfonatoethoxysulfonyl)phenylazo]-5-[4-(2-sulfonatoethoxysulfonyl)-2-sulfonatophenylazo]-benzenesulfonate
Identifier:
IUPAC name
dipotassium disodium 2,4-diamino-5-(2-{2-sulfo-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)-3-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)benzene-1-sulfonate
Identifier:
IUPAC name
dipotassium disodium 2,4-diamino-5-(2-{2-sulfo-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)-3-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)benzene-1-sulfonate
Identifier:
IUPAC name
dipotassium disodium 2-((4-((E)-(2,4-diamino-5-sulfonato-3-((E)-(4-((2-(sulfonatooxy)ethyl)sulfonyl)phenyl)diazenyl)phenyl)diazenyl)-3-sulfonatophenyl)sulfonyl)ethyl sulfate
Identifier:
IUPAC name
potassium, sodium 2,4-diamino-3-[4-(2-sulfonatoethoxysulfony l)phenylazo]-5-[4-(2-sulfonatoethoxys ulfonyl)-2-sulfonatoph enylazo]-benzenesulfonate
Identifier:
Colour Index
Reactive Orange 131
Identifier:
other: InChl
InChI=1S/C22H24N6O18S6.K.Na/c23-20-17(27-26-16-6-5-15(11-18(16)49(33,34)35)48(31,32)10-8-46-52(42,43)44)12-19(50(36,37)38)21(24)22(20)28-25-13-1-3-14(4-2-13)47(29,30)9-7-45-51(39,40)41;;/h1-6,11-12H,7-10,23-24H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b27-26+,28-25+
Identifier:
other: Molecular formula
C22H20K2N6Na2O18S6
Identifier:
other: Molecular formula
C22H20KxN6NaxO18S6
Identifier:
other: Molecular formula
C22H20N6O18S6KxNa4-x
Identifier:
other: Molecular formula
C22H20N6O18S6KxNax
Identifier:
other: Molecular formula
C22H20N6O18S6KxNax
Identifier:
other: Molecular formula
C22H24N6Na2K2O18S6
Identifier:
other: Molecular formula
C22H24N6O18S6.xK.xNa, x=0~4 , and the typical is C22H24N6O18S6.K.3Na
Identifier:
other: Molecular formula
C22H24NaxKyN6O18S6
Identifier:
other: Molecular formula
Hill formula: C22H(24-x-y)KyN6NaxO18S6 CAS formula: C22H24N6O18S6.yK.xNa
Identifier:
other: SMILES notation
[Na+].[K+].Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1
Identifier:
other: SMILES notation
[Na].[K].Nc1c(cc(c(N)c1N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N=Nc3ccc(cc3S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O
Identifier:
other: SMILES notation
x[Na+].x[K+].NC1=C(\N=N\C2=CC=C(C=C2)S(=O)(=O)CCOS([O-])(=O)=O)C(N)=C(C=C1\N=N\C1=C(C=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
potassium,sodium 2,4-diamino-3-[4-(2-sulfonatoethoxysulfonyl)phenylazo]-5-[4-(2-sulfonatoethoxysulfonyl)-2-sulfonatophenylazo]-benzenesulfonate

Molecular and structural information

Molecular formula:
187026-95-5
Molecular weight:
852.84
SMILES notation:
NC1=C(C=C(C(=C1N=NC2=CC=C(C=C2)[S](=O)(=O)OCC[S](=O)(=O)[O-])N)N=NC3=C(C=C(C=C3)[S](=O)(=O)OCC[S](=O)(=O)[O-])[S](=O)(=O)[O-])[S](=O)(=O)[O-].[Na+].[Na+].[K+].[K+]
InChl:
InChI=1S/C22H24N6O18S6.K.Na/c23-20-17(27-26-16-6-5-15(11-18(16)49(33,34)35)48(31,32)10-8-46-52(42,43)44)12-19(50(36,37)38)21(24)22(20)28-25-13-1-3-14(4-2-13)47(29,30)9-7-45-51(39,40)41;;/h1-6,11-12H,7-10,23-24H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b27-26+,28-25+
Structural formula:
Chemical structure

Related substances

Identifier:
EC number
Identity:
422-980-2