123751 <common-name>Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate</common-name> <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.</description> <cas>119403-58-6</cas> <pubchem-id>658697</pubchem-id> <chemical-formula>C11H9F9N2O2</chemical-formula> <weight>372.19</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T07:06:47Z</created-at> <updated-at type="dateTime">2026-08-18T15:05:44Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCOC(=O)C1=C(NN=C1C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C11H9F9N2O2</moldb-formula> <moldb-inchi>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)</moldb-inchi> <moldb-inchikey>UXYZBNZRCWCUCV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">372.191</moldb-average-mass> <moldb-mono-mass type="decimal">372.0520315</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM119644</chemdb-id> <dsstox-id>DTXSID80896241</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00111801</susdat-id> <iupac>ethyl 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole-4-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Pyrazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0120393</sync-id> <structure-inchikey>UXYZBNZRCWCUCV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2100020800800042000000050000000000000000000000000000000000002100000000000000000002000000000000000000000000000000000000000000020000000200000000000800020000000000100000000000000010000000200010000000000000000000200000008000000000000000000800000000000000040000000000000200000000000000000000000000000020000000000000000020000000000000000080002000000000000040000400000000000000000020000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000400800000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������@(������@(������@8�������@(������@(�������`������� ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ���� � ������������� ��(��� ��h���h���h�� h� �������� ������������������������������� �h�B��������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:46:51Z</structure-indexed-at> </compound>