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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 6-(Trifluoromethyl)nicotinate - ≥97% , CAS No.597532-36-0
Synonyms
Ethyl 6-(trifluoromethyl)pyridine-3-carboxylate | FT-0646370 | MFCD04972865 | SY014887 | SCHEMBL838555 | Ethyl6-(Trifluoromethyl)nicotinate | A914195 | DTXSID301005501 | DS-10987 | AC-23670 | J-513092 | AKOS005063506 | 3-PYRIDINECARBOXYLIC ACID, 6-(TRIFLU
Storage
Room temperature,Desiccated
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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,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 Synonyms
Ethyl 6-(trifluoromethyl)pyridine-3-carboxylate | FT-0646370 | MFCD04972865 | SY014887 | SCHEMBL838555 | Ethyl6-(Trifluoromethyl)nicotinate | A914195 | DTXSID301005501 | DS-10987 | AC-23670 | J-513092 | AKOS005063506 | 3-PYRIDINECARBOXYLIC ACID, 6-(TRIFLU
Specifications & Purity
≥97%
Storage
Room temperature, Desiccated
Names and Identifiers Pubchem Sid 504766369 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766369 Canonical Smiles CCOC(=O)C1=CN=C(C=C1)C(F)(F)F IUPAC Name ethyl 6-(trifluoromethyl)pyridine-3-carboxylate InChIKey NRFRJTLIEGYCOA-UHFFFAOYSA-N INCHI 1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3 Isomeric SMILES CCOC(=O)C1=CN=C(C=C1)C(F)(F)F Molecular Weight 219.16 Reaxy-Rn 18370648 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18370648&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 Organoheterocyclic compounds Class Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids Alternative Parents Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.4460 Molecular Weight 219.160 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 219.051 Da Monoisotopic Mass 219.051 Da Topological Polar Surface Area 39.200 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 230.000 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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