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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Phenoxybenzoic Acid Methyl Ester - ≥98% , CAS No.21218-94-0
Synonyms
D84594 | 4-Phenoxybenzoic acid methyl ester | 4-Phenoxy-benzoic acid methyl ester | BS-28217 | AKOS002678225 | Methyl 4-phenoxybenzoate # | Methyl4-phenoxybenzoate | SCHEMBL5608453 | Benzoic acid, 4-phenoxy-, methyl ester | AG-205/03664014 | Methyl p-phen
Storage
Room temperature,Desiccated
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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,Desiccated 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
D84594 | 4-Phenoxybenzoic acid methyl ester | 4-Phenoxy-benzoic acid methyl ester | BS-28217 | AKOS002678225 | Methyl 4-phenoxybenzoate # | Methyl4-phenoxybenzoate | SCHEMBL5608453 | Benzoic acid, 4-phenoxy-, methyl ester | AG-205/03664014 | Methyl p-phen
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Nombres e identificadores Pubchem Sid 504759514 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759514 Sonrisas canónicas COC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 IUPAC Name methyl 4-phenoxybenzoate InChIKey XMXLYEKPSHVLKD-UHFFFAOYSA-N INCHI 1S/C14H12O3/c1-16-14(15)11-7-9-13(10-8-11)17-12-5-3-2-4-6-12/h2-10H,1H3 Isómeros SMILES COC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 Peso molecular 228.24 Reaxy-Rn 2116231 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116231&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 Diphenylethers Intermediate Tree Nodes Not available Direct Parent Diphenylethers Alternative Parents Diarylethers Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Diphenylether - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 228.240 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 228.079 Da Monoisotopic Mass 228.079 Da Topological Polar Surface Area 35.500 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 238.000 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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