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· · COA & SDS available for every product · Same-day shipping on in-stock items (2E)-3-(4-Fluorophenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one , CAS No.1164563-92-1
Synonyms
3-(4-Fluoro-phenyl)-1-(5-methyl-furan-2-yl)-propenone | (2E)-3-(4-Fluorophenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one | Cambridge id 5136228 | MLS000560329 | HMS2576A12 | BDBM50493018 | MFCD00443469 | AKOS000520662 | SMR000175596 | AB00074283-01 | Z119967
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3-(4-Fluoro-phenyl)-1-(5-methyl-furan-2-yl)-propenone | (2E)-3-(4-Fluorophenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one | Cambridge id 5136228 | MLS000560329 | HMS2576A12 | BDBM50493018 | MFCD00443469 | AKOS000520662 | SMR000175596 | AB00074283-01 | Z119967
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(O1)C(=O)C=CC2=CC=C(C=C2)F IUPAC Name (E)-3-(4-fluorophenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one InChIKey TWJRBPVFXFCRNI-VMPITWQZSA-N INCHI 1S/C14H11FO2/c1-10-2-9-14(17-10)13(16)8-5-11-3-6-12(15)7-4-11/h2-9H,1H3/b8-5+ Isomeric SMILES CC1=CC=C(O1)C(=O)/C=C/C2=CC=C(C=C2)F PubChem CID 5717651 Molecular Weight 230.23
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Cinnamic acids and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Cinnamic acids and derivatives Alternative Parents Styrenes Aryl ketones Fluorobenzenes Aryl fluorides Heteroaromatic compounds Furans Enones Acryloyl compounds Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes Molecular Framework Aromatic heteromonocyclic compounds Substituents Cinnamic acid or derivatives - Styrene - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Furan - Alpha,beta-unsaturated ketone - Ketone - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 230.230 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 230.074 Da Monoisotopic Mass 230.074 Da Topological Polar Surface Area 30.200 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 293.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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