Basic information
- CAS
73514-04-2- Standard SMILES
Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1[O-].O=C1C=Cc2ccccc2C1=NN=C1C(=O)C=C(S(=O)(=O)[O-])c2cc(N([O-])[O-])ccc21.[Cr+3].[NH4+].[NH4+].[NH4+]- InChIKey
UFHAZCZIDGJCGU-RMCKZSDJSA-M- Molecular formula
- C36H32CrN11O14S2
- Average molar mass
- 958.8 g/mol
- Monoisotopic mass
- 958.097667
Names & identifiers
- Preferred name
- Chromate(3-), (3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, triammonium
- IUPAC
- triazanium;chromium(3+);7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
- English name
- Chromate(3-), [3-[(4,5-dihydro-3-methyl- 5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato (3-)][3-hydroxy-4-[(2-hydrox y-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfona to(3-)]-, triammonium
- Molecular formula
- C36H32CrN11O14S2
- Molecular weight
- 958.83068
Names & synonyms
73514-04-2Chromate(3-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, triammoniumChromate(3-), (3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, triammoniumDTXSID701015409Chromate(3-), (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-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, ammonium (1:3)Chromate(3-), [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-(hydroxy-.kappa.O)-4-[[2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, triammonium
Properties
Computed structural properties
- Topological polar surface area
- 377 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 4
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,700
Physicochemical properties
- EPA Substance Registry System
- 3 · Chromate(3-), [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-(hydroxy-.kappa.O)-4-[[2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, triammonium (73514-04-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Chromate(3-), [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-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, ammonium (1:3): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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