1.0 2014-08-29 06:51:45 UTC 2026-08-19 09:25:02 UTC T3D4531 Pyraflufen-ethyl SmallMolecule Pyraflufen-ethyl is an exogenous organic compound with the formula C15H13Cl2F3N2O4 and an average molecular weight of 413.18 g/mol. At room temperature, this substance exists as a solid. Pyraflufen-ethyl belongs to the pyrazoles, a subclass of azoles within the organic compounds. It is a herbicide used to control broad-leaved weeds and grasses in crops, acting selectively with contact action. The compound has been identified in or released from 36 recorded sources. These include drinking water and water supply systems, as well as various household items such as key rings, badges, and credit card holders. It is found in building and construction materials, specifically floors, fencing, and tents or canopies. In the realm of food and cookware, it is associated with the processing of meats and the preparation of wine, sparkling wine, or vinegar. Additionally, it is linked to household cleaning and consumer products, including pipe accessories and other smoking requisites, as well as electrical and electronic equipment such as amplifiers, antennas, coils, auxiliary devices, and adjustable resistors. Regarding biological activity, pyraflufen-ethyl has 13 recorded protein targets, which include tissue factor (F3), interleukin-8 (CXCL8), urokinase plasminogen activator surface receptor (PLAUR), and interstitial collagenase (MMP1), along with nine other proteins. The recorded route of exposure for this compound is oral. Pesticide Synthetic Toxin Organic Compound Organochloride Pesticide Organofluoride Ether Ester Herbicide Synthetic Compound ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyacetate, ethyl [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetate ethyl 2-{2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate C15H13Cl2F3N2O4 413.176 412.020446943 ethyl 2-{2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate pyraflufen-ethyl 129630-19-9 CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3 APTZNLHMIGJTEW-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Azoles Pyrazoles Phenylpyrazoles Alkyl aryl ethers Alkyl fluorides Aryl chlorides Aryl fluorides Azacyclic compounds Carbonyl compounds Carboxylic acid esters Chlorobenzenes Fluorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Phenoxyacetic acid derivatives Alkyl aryl ether Alkyl fluoride Alkyl halide Aromatic heteromonocyclic compound Aryl chloride Aryl fluoride Aryl halide Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chlorobenzene Ether Fluorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenoxyacetate Phenylpyrazole Aromatic heteromonocyclic compounds Pyrazole herbicides pyrazoles ring assembly Detected and Not Quantified Exogenous Membrane Solid White powder. logp 4.8 logp 4.69 ALOGPS logs -4.81 ALOGPS solubility 6.39e-03 g/l ALOGPS logp 4.47 ChemAxon pka_strongest_basic 0.71 ChemAxon iupac ethyl 2-{2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate ChemAxon average_mass 413.176 ChemAxon mono_mass 412.020446943 ChemAxon smiles CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl ChemAxon formula C15H13Cl2F3N2O4 ChemAxon inchi InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3 ChemAxon inchikey APTZNLHMIGJTEW-UHFFFAOYSA-N ChemAxon polar_surface_area 62.58 ChemAxon refractivity 97.34 ChemAxon polarizability 35.7 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon No indication of carcinogenicity to humans (not listed by IARC). This is a man-made compound that is used as a pesticide. #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72233374e8> 182951 CHEMBL1905010 159109 C18554 BE0000956 AC50 0.02 uM NVS_NR_hPXR Novascreen BE0005460 AC50 1.48 uM BSK_SAg_CD69_up BioSeek BE0000920 AC50 1.48 uM BSK_hDFCGF_MMP1_up BioSeek BE0000717 AC50 1.48 uM BSK_BE3C_uPAR_up BioSeek BE0003549 AC50 4.09 uM CLZD_CYP2B6_6 CellzDirect BE0005459 AC50 4.44 uM BSK_SAg_CD38_up BioSeek BE0001047 AC50 4.44 uM BSK_SAg_MCP1_up BioSeek BE0000961 AC50 4.44 uM BSK_LPS_IL8_down BioSeek BE0001178 AC50 4.44 uM BSK_3C_TissueFactor_down BioSeek BE0000886 AC50 4.54 uM CLZD_SULT2A1_24 CellzDirect BE0003541 AC50 4.80 uM CLZD_UGT1A1_24 CellzDirect AC50 4.77 uM CLZD_UGT1A1_48 CellzDirect BE0002638 AC50 5.03 uM CLZD_CYP3A4_6 CellzDirect AC50 7.28 uM CLZD_CYP3A4_24 CellzDirect BE0003721 AC50 6.35 uM Tox21_AhR Tox21/NCGC BE0002793 AC50 7.41 uM CLZD_CYP2C9_48 CellzDirect