Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
228-819-0
EC name:
Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate
CAS number:
6359-98-4

No inventory information available

Reference substance information

IUPAC name:
disodium 2,5-dichloro-4-{3-methyl-5-oxo-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonate
Synonyms
Names:
Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro- 3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol -1-yl]-, disodium salt
Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt
Identifier:
CAS number
6359-98-4
Identifier:
IUPAC name
disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate
Identifier:
IUPAC name
disodium 2-{[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxido-1H-pyrazol-4-yl]diazenyl}benzenesulfonate
Identifier:
IUPAC name
sodium (E)-2,5-dichloro-4-(5-hydroxy-3-methyl-4-((4-sulfonatophenyl)diazenyl)-1H-pyrazol-1-yl)benzenesulfonate
Identifier:
other: Molecular formula
C16 H10 Cl2 N4 Na2 O7 S2
Identifier:
other: Molecular formula
C16H12Cl2N4O7S2.2Na
Identifier:
other: InChl
InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;;/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;;
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/c2c(O)n(nc2C)c3cc(Cl)c(cc3Cl)S([O-])(=O)=O
sodium (E)-2,5-dichloro-4-(5-hydroxy-3-methyl-4-((4-sulfonatophenyl)diazenyl)-1H-pyrazol-1-yl)benzenesulfonate

CAS information

CAS number:
6359-98-4

Molecular and structural information

Molecular formula:
C16H10Cl2N4Na2O7S2
Molecular weight:
ca. 551.29
SMILES notation:
CC1=NN(C(=O)C1/N=N/c2ccc(cc2)S(=O)(=O)[O-])c3cc(c(cc3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
InChl:
InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;;
Structural formula:
Chemical structure