Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate (CHEM119644)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 07:06:47 UTC | ||||||||
| Update Date | 2026-08-18 15:05:44 UTC | ||||||||
| Accession Number | CHEM119644 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate is an organic compound with the chemical formula $\text{C}_{11}\text{H}_9\text{F}_9\text{N}_2\text{O}_2$ and an average molecular weight of 372.19 g/mol. Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate belongs to the pyrazoles, a subclass of azoles within the organic compounds. This compound has been found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, and wires and cables. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector. Additionally, one more sector has been recorded. Recorded exposure routes for this substance include oral, inhalation, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C11H9F9N2O2 | ||||||||
| Average Molecular Mass | 372.191 g/mol | ||||||||
| Monoisotopic Mass | 372.052 g/mol | ||||||||
| CAS Registry Number | 119403-58-6 | ||||||||
| IUPAC Name | ethyl 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole-4-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1=C(NN=C1C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C11H9F9N2O2/c1-3-24-7(23)5-4(2)21-22-6(5)8(12,13)9(14,15)10(16,17)11(18,19)20/h3H2,1-2H3,(H,21,22) | ||||||||
| InChI Key | UXYZBNZRCWCUCV-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 | ||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
