4,5-Dihydro-5-oxo-4-[(3-phosphonophenyl)azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (CHEM092309)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 04:17:30 UTC | ||||||||
| Update Date | 2026-08-28 17:15:32 UTC | ||||||||
| Accession Number | CHEM092309 | ||||||||
| Identification | |||||||||
| Common Name | 4,5-Dihydro-5-oxo-4-[(3-phosphonophenyl)azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4,5-Dihydro-5-oxo-4-[(3-phosphonophenyl)azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid has the formula C16H13N4O9PS and an average molecular weight of 468.30 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H13N4O9PS | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 468.014 g/mol | ||||||||
| CAS Registry Number | 77394-55-9 | ||||||||
| IUPAC Name | 5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC(=C1)P(=O)(O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O | ||||||||
| InChI Identifier | InChI=1/C16H13N4O9PS/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29) | ||||||||
| InChI Key | UFOWHPDKJWPTMS-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 | |||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
