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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-(trifluoromethyl)benzoate - ≥99% , CAS No.2557-13-3
Synonyms
J-800356 | F11226 | M1718 | 3-(Trifluoromethyl)benzoic Acid Methyl Ester | methyl 3-(trifluoromethyl) benzoate | methyl m-trifluoromethylbenzoate | PS-8143 | M-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-, METHYL ESTER | A5145 | m-carbomethoxybenzotrif
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Why this grade ≥99% 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-800356 | F11226 | M1718 | 3-(Trifluoromethyl)benzoic Acid Methyl Ester | methyl 3-(trifluoromethyl) benzoate | methyl m-trifluoromethylbenzoate | PS-8143 | M-TOLUIC ACID, .ALPHA., .ALPHA., .ALPHA.-TRIFLUORO-, METHYL ESTER | A5145 | m-carbomethoxybenzotrif
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504759054 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759054 Sonrisas canónicas COC(=O)C1=CC(=CC=C1)C(F)(F)F IUPAC Name methyl 3-(trifluoromethyl)benzoate InChIKey QQHNNQCWKYFNAC-UHFFFAOYSA-N INCHI 1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3 Isómeros SMILES COC(=O)C1=CC(=CC=C1)C(F)(F)F WGK Alemania 3 Número ONU 3272 Peso molecular 204.15 Beilstein 1963428 Reaxy-Rn 1963428 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963428&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 Trifluoromethylbenzenes Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Trifluoromethylbenzene - Benzoyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - 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 Índice de refracción 1.453 Punto de inflamación (°F) 104 °F Punto de inflamación (°C) 40 °C Punto de ebullición (°C) 93-95°C/20mmHg Peso molecular 204.150 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 204.04 Da Monoisotopic Mass 204.04 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 213.000 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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