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224,000+ productos de investigación · Triple ISO certified · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 3-fluoro-4-methylbenzoate - ≥98% , CAS No.86239-00-1
Synonyms
DS-8382 | Ethyl 3-fluoro-4-methylbenzoate | Ethyl 3-fluoro-4-methyl-benzoate | DTXSID001022643 | 3-Fluoro-4-methylbenzoic acid ethyl ester | SCHEMBL603415 | MFCD06204523 | Z283416492 | AKOS009147067 | Ethyl3-fluoro-4-methylbenzoate | Benzoic acid, 3-fluor
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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 Sinónimos
DS-8382 | Ethyl 3-fluoro-4-methylbenzoate | Ethyl 3-fluoro-4-methyl-benzoate | DTXSID001022643 | 3-Fluoro-4-methylbenzoic acid ethyl ester | SCHEMBL603415 | MFCD06204523 | Z283416492 | AKOS009147067 | Ethyl3-fluoro-4-methylbenzoate | Benzoic acid, 3-fluor
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas
CCOC(=O)C1=CC(=C(C=C1)C)F
IUPAC Name
ethyl 3-fluoro-4-methylbenzoate
InChIKey
XXAHBQYWMMITFM-UHFFFAOYSA-N
INCHI
1S/C10H11FO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
Isómeros SMILES
CCOC(=O)C1=CC(=C(C=C1)C)F
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5508742&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 Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents 3-halobenzoic acids and derivatives Benzoyl derivatives Toluenes Fluorobenzenes Aryl fluorides Carboxylic acid esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Toluene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 182.190 g/mol XLogP3 2.600 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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