Chromate(2-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, dihydrogen

HCID 175367

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Basic information

CAS: 73003-33-5
Standard SMILES: Cc1nn(-c2ccccc2)c([O-])c1N=Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc12.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1ccc([N+](=O)[O-])cc1[O-].[Cr+3].[H+].[H+]
InChIKey: XXWGALZQMLZTIY-UHFFFAOYSA-K
Molecular formula: C36H26CrN9O9S
Average molar mass: 812.7 g/mol
Monoisotopic mass: 812.097924

Names & identifiers

Preferred name: Chromate(2-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, dihydrogen
IUPAC: chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate

Names & synonyms

73003-33-5EINECS 277-197-7Chromate(2-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, dihydrogenChromate(2-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, hydrogen (1:2)Chromate(2-), [2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-4-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][4-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]-, dihydrogen

Database identifiers

CAS: 73003-33-5
PubChem CID: 175367

Properties

Computed structural properties

Topological polar surface area: 289 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 15
Rotatable bonds: 6
Heavy atoms: 56
Formal charge: 0
Complexity: 1,200

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 1 item

Chromate(2-), [2,4-dihydro-4-[2-[2-(hydroxy-.kappa.O)-4-nitrophenyl]diazenyl-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][4-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]-, hydrogen (1:2): ACTIVE

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