Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2-naphthalenolato(2-)-kappaO][2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)

HCID 175309

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Basic information

CAS: 72928-80-4
Standard SMILES: Cc1nn(-c2ccccc2)c([O-])c1N=Nc1ccc([N+](=O)[O-])cc1[O-].[Cr+3].[H+].[O-]c1ccc(Cl)cc1N=Nc1c([O-])ccc2ccccc12
InChIKey: KFSHJWFZIBFMFW-UHFFFAOYSA-K
Molecular formula: C32H21ClCrN7O6
Average molar mass: 687 g/mol
Monoisotopic mass: 686.064689

Names & identifiers

Preferred name: Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2-naphthalenolato(2-)-kappaO][2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)
IUPAC: 1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate

Names & synonyms

Chromate(1-), (1-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)(2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1)Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2-naphthalenolato(2-)-kappaO][2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)RefChem:576197DTXCID701769561Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O][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]-, hydrogen (1:1)DTXSID30134011972928-80-4EINECS 277-090-5Chromate(1-), (1-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-2-naphthalenolato(2-))(2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogenChromate(1-), (2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-5-chlorophenyl)azo)-2-naphthalenolato)-, hydrogenChromate(1-), [1-[[5-chloro-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-2-naphthalenolato(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]-, hydrogenHydrogen (1-((5-chloro-2-hydroxyphenyl)azo)-2-naphtholato(2-))(2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))chromate(1-)

Database identifiers

CAS: 72928-80-4
PubChem CID: 175309
EC Number: 277-090-5

Properties

Computed structural properties

Topological polar surface area: 205 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 5
Heavy atoms: 47
Formal charge: 0
Complexity: 873

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 1 item

Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O][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]-, hydrogen (1:1): INACTIVE

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