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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-(4-fluorophenyl)-4-oxobutanoate - ≥98% , CAS No.39560-31-1
Synonyms
SCHEMBL640759 | DTXSID60409015 | SY004009 | AMY20556 | AS-31567 | FT-0749696 | Methyl 3-(p-fluorobenzoyl)propionate | AKOS008904996 | Methyl 3-(4-fluorobenzoyl)-propionate | methyl 4-(4-fluorophenyl)-4-oxobutanoate | methyl 4-(4-fluorophenyl)-4-oxobutan-o
Storage
Protected from light,Room temperature,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Room temperature,Argon charged Ships Normal 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
SCHEMBL640759 | DTXSID60409015 | SY004009 | AMY20556 | AS-31567 | FT-0749696 | Methyl 3-(p-fluorobenzoyl)propionate | AKOS008904996 | Methyl 3-(4-fluorobenzoyl)-propionate | methyl 4-(4-fluorophenyl)-4-oxobutanoate | methyl 4-(4-fluorophenyl)-4-oxobutan-o
Specifications & Purity
≥98%
Storage
Protected from light, Room temperature, Argon charged
Names and Identifiers Canonical Smiles COC(=O)CCC(=O)C1=CC=C(C=C1)F IUPAC Name methyl 4-(4-fluorophenyl)-4-oxobutanoate InChIKey WVLOAJPINXKMAW-UHFFFAOYSA-N INCHI 1S/C11H11FO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3 Isomeric SMILES COC(=O)CCC(=O)C1=CC=C(C=C1)F Molecular Weight 210.20 Reaxy-Rn 2842278 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2842278&ln=
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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Fatty acid methyl esters Aryl fluorides Methyl esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Fatty acid ester - Fluorobenzene - Fatty acid methyl ester - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity light & Moisture sensitive Molecular Weight 210.200 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 210.069 Da Monoisotopic Mass 210.069 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 232.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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