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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Dimethyl [2-Oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate - ≥97% , CAS No.54094-19-8
Synonyms
J-510216 | Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate | 1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one | SCHEMBL187207 | MFCD09054713 | C12H14F3O5P | m-CF3C6H4OCH2COCH2PO(OMe)2 | Y10356 | A829958 | DTXSID40566796 |
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Why this grade ≥97% 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
J-510216 | Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate | 1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one | SCHEMBL187207 | MFCD09054713 | C12H14F3O5P | m-CF3C6H4OCH2COCH2PO(OMe)2 | Y10356 | A829958 | DTXSID40566796 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488198786 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488198786 Sonrisas canónicas COP(=O)(CC(=O)COC1=CC=CC(=C1)C(F)(F)F)OC IUPAC Name 1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one InChIKey MBGWNNJXMYHKQO-UHFFFAOYSA-N INCHI 1S/C12H14F3O5P/c1-18-21(17,19-2)8-10(16)7-20-11-5-3-4-9(6-11)12(13,14)15/h3-6H,7-8H2,1-2H3 Isómeros SMILES COP(=O)(CC(=O)COC1=CC=CC(=C1)C(F)(F)F)OC Peso molecular 326.21 Reaxy-Rn 2339010 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2339010&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 Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Phenoxy compounds Phenol ethers Dialkyl alkylphosphonates Alkyl aryl ethers Phosphonic acid esters Ketones Organophosphorus compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dialkyl alkylphosphonate - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Organofluoride - Organophosphorus compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. 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 Índice de refracción 1.48 Punto de inflamación (°C) 183 °C Peso molecular 326.200 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 326.053 Da Monoisotopic Mass 326.053 Da Topological Polar Surface Area 61.800 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 391.000 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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