4-Chloro-3-{3-methyl-5-oxo-4-[(E)-phenyldiazenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid (CHEM062705)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 07:26:59 UTC | ||||||||
| Update Date | 2026-04-03 07:26:59 UTC | ||||||||
| Accession Number | CHEM062705 | ||||||||
| Identification | |||||||||
| Common Name | 4-Chloro-3-{3-methyl-5-oxo-4-[(E)-phenyldiazenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H13Cl1N4O4S1 | ||||||||
| Average Molecular Mass | 392.810 g/mol | ||||||||
| Monoisotopic Mass | 392.035 g/mol | ||||||||
| CAS Registry Number | 70693-51-5 | ||||||||
| IUPAC Name | 4-Chloro-3-{3-methyl-5-oxo-4-[(E)-phenyldiazenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C16H13ClN4O4S/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17/h2-9,15H,1H3,(H,23,24,25)/b19-18+ | ||||||||
| InChI Key | QDTMJKXRTWLGGY-VHEBQXMUSA-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
