Chromate(3-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, trisodium
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Basic information
- CAS
75214-57-2- Standard SMILES
CC1=NN(c2ccc(C)cc2)C(=O)C1=NN=C1C=C(S(=O)(=O)[O-])C=C(N([O-])[O-])C1=O.Cc1ccc(-n2nc(C)c(N=Nc3cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c3[O-])c2[O-])cc1.[Cr+3].[Na+].[Na+].[Na+]- InChIKey
ZKOBZXYVTVMKQO-IAHLDHNBSA-J- Molecular formula
- C34H24CrN10Na3O14S2
- Average molar mass
- 981.7 g/mol
- Monoisotopic mass
- 981.0013
Names & identifiers
- Preferred name
- Chromate(3-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, trisodium
- IUPAC
- trisodium;chromium(3+);5-(dioxidoamino)-3-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate;3-[[3-methyl-1-(4-methylphenyl)-5-oxidopyrazol-4-yl]diazenyl]-5-nitro-4-oxidobenzenesulfonate
- English name
- Chromate(3-), bis[3-[[4,5-dihydro-3-methyl- 1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl]azo] -4-hydroxy-5-nitrobenzenesulfonato(3-)]-, trisodium
- Molecular formula
- C34H24CrN10Na3O14S2
- Molecular weight
- 981.70837
Names & synonyms
75214-57-2Chromate(3-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, trisodiumChromate(3-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulfonato(3-))-, trisodiumChromate(3-), bis(3-(2-(4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium (1:3)ZKOBZXYVTVMKQO-UHFFFAOYSA-JDTXSID701015411Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, trisodiumChromium(3+) sodium 3-{(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-id-4-yl]diazenyl}-5-nitro-4-oxidobenzene-1-sulfonate (1/3/2)Chromate(3-), bis[3-[[4,5-dihydro-3-methyl- 1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl]azo] -4-hydroxy-5-nitrobenzenesulfonato(3-)]-, trisodium
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 389 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 5
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 733
Physicochemical properties
- EPA Substance Registry System
- 3 · Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, trisodium (75214-57-2)
- 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 InformationChromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium (1:3): ACTIVE
Related reactions
0 records
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Compound notes
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