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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 2-(3-fluoro-4-methylphenyl)acetate - ≥98% , CAS No.787585-29-9
Synonyms
AKOS016007316 | ISUNYZAHRLYMEU-UHFFFAOYSA-N | SCHEMBL1555409 | Methyl2-(3-fluoro-4-methylphenyl)acetate | Methyl 3-fluoro-4-methylphenylacetate | DTXSID20730852 | CL9130 | FS-3725 | Methyl (3-fluoro-4-methylphenyl)acetate | Methyl 2-(3-fluoro-4-methylphen
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature 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
AKOS016007316 | ISUNYZAHRLYMEU-UHFFFAOYSA-N | SCHEMBL1555409 | Methyl2-(3-fluoro-4-methylphenyl)acetate | Methyl 3-fluoro-4-methylphenylacetate | DTXSID20730852 | CL9130 | FS-3725 | Methyl (3-fluoro-4-methylphenyl)acetate | Methyl 2-(3-fluoro-4-methylphen
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC1=C(C=C(C=C1)CC(=O)OC)F IUPAC Name methyl 2-(3-fluoro-4-methylphenyl)acetate InChIKey ISUNYZAHRLYMEU-UHFFFAOYSA-N INCHI 1S/C10H11FO2/c1-7-3-4-8(5-9(7)11)6-10(12)13-2/h3-5H,6H2,1-2H3 Isomeric SMILES CC1=C(C=C(C=C1)CC(=O)OC)F Molecular Weight 182.19 Reaxy-Rn 14342917 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14342917&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 Benzenoids Class Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Not available Direct Parent Fluorobenzenes Alternative Parents Toluenes Aryl fluorides Methyl esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Toluene - Fluorobenzene - Aryl fluoride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. 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 Molecular Weight 182.190 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 182.074 Da Monoisotopic Mass 182.074 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 182.000 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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