Chromate(2-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-phenylbenzenesulfonamidato(2-))-, disodium

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Basic information

CAS: 57108-69-7
Standard SMILES: Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1[O-].Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1[O-].[Cr+3].[Na+].[Na+]
InChIKey: WNVYPIUEPPVYFD-UHFFFAOYSA-I
Molecular formula: C38H27CrN10O11S2.2Na
Average molar mass: 961.8 g/mol
Monoisotopic mass: 961.050262

Names & identifiers

Preferred name: Chromate(2-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-phenylbenzenesulfonamidato(2-))-, disodium
IUPAC: disodium;chromium(3+);3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate;3-methyl-4-[[2-oxido-5-(phenylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate

Names & synonyms

DTXSID401014971Chromate(2-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-phenylbenzenesulfonamidato(2-))-, disodiumChromate(2-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-phenylbenzenesulfonamidato(2-)]-, disodiumRefChem:576466DTXCID901473306260-564-057108-69-7EINECS 260-564-0WNVYPIUEPPVYFD-UHFFFAOYSA-IChromate(2-), (3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-N-phenylbenzenesulfonamidato(2-))-, disodiumChromate(2-), (3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-N-phenylbenzenesulfonamidato(2-))-, sodium (1:2)Chromate(2-), [3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)][3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-N-phenylbenzenesulfonamidato(2-)]-, disodium

Show more names

Chromium(3+) sodium 3-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-5-nitro-2-oxidobenzene-1-sulfonate 2-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-4-(phenylsulfamoyl)phenolate (1/2/1/1)

Database identifiers

CAS: 57108-69-7
PubChem CID: 162808
DTXSID: DTXSID401014971
EC Number: 260-564-0

Properties

Computed structural properties

Topological polar surface area: 343 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 18
Rotatable bonds: 9
Heavy atoms: 64
Formal charge: 0
Complexity: 1,440

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: Chromate(2-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-phenylbenzenesulfonamidato(2-)]-, disodium

Other Safety Information · 1 item

IMAP assessments - Chromate(2-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-phenylbenzenesulfonamidato(2-)]-, disodium: Human health tier I assessment

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 1 item

Chromate(2-), [3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)][3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-N-phenylbenzenesulfonamidato(2-)]-, sodium (1:2): ACTIVE

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Compound notes

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