3-[(4,5-Dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid (CHEM090031)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 02:32:03 UTC | ||||||||
| Update Date | 2026-04-05 02:32:03 UTC | ||||||||
| Accession Number | CHEM090031 | ||||||||
| Identification | |||||||||
| Common Name | 3-[(4,5-Dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[(4,5-Dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid belongs to the nitrophenols, a subclass of phenols within the organic compounds. This benzenoid compound has the chemical formula C21H16N5O7S and an average molecular weight of 481.44 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H16N5O7S | ||||||||
| Average Molecular Mass | 481.440 g/mol | ||||||||
| Monoisotopic Mass | 482.077 g/mol | ||||||||
| CAS Registry Number | 64743-14-2 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC1=C(C=C(C=C1S(O)(=O)=O)[N+]([O-])=O)N=NC1C(=O)N(N=C1C1=CC=CC=C1)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1/C21H15N5O7S/c27-20-16(11-15(26(29)30)12-17(20)34(31,32)33)22-23-19-18(13-7-3-1-4-8-13)24-25(21(19)28)14-9-5-2-6-10-14/h1-12,19,27H,(H,31,32,33) | ||||||||
| InChI Key | YSPMRORHTQVGCD-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
