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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 1-(5-bromopyridin-3-yl)piperidine-4-carboxylate - ≥97% , CAS No.847406-13-7
Synonyms
XIB40613 | Ethyl 1-(5-bromopyridin-3-yl)-piperidine-4-carboxylate | Ethyl 1-(5-bromopyridin-3-yl)piperidine-4-carboxylate | DTXSID50856655 | Ethyl1-(5-bromopyridin-3-yl)piperidine-4-carboxylate | AKOS022171713 | DS-2981 | CEZIJGBDNLFOLM-UHFFFAOYSA-N | MFC
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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 Synonyms
XIB40613 | Ethyl 1-(5-bromopyridin-3-yl)-piperidine-4-carboxylate | Ethyl 1-(5-bromopyridin-3-yl)piperidine-4-carboxylate | DTXSID50856655 | Ethyl1-(5-bromopyridin-3-yl)piperidine-4-carboxylate | AKOS022171713 | DS-2981 | CEZIJGBDNLFOLM-UHFFFAOYSA-N | MFC
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CCOC(=O)C1CCN(CC1)C2=CC(=CN=C2)Br IUPAC Name ethyl 1-(5-bromopyridin-3-yl)piperidine-4-carboxylate InChIKey CEZIJGBDNLFOLM-UHFFFAOYSA-N INCHI 1S/C13H17BrN2O2/c1-2-18-13(17)10-3-5-16(6-4-10)12-7-11(14)8-15-9-12/h7-10H,2-6H2,1H3 Isomeric SMILES CCOC(=O)C1CCN(CC1)C2=CC(=CN=C2)Br Molecular Weight 313.19 Reaxy-Rn 14381679 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14381679&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 Piperidines Subclass Piperidinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Piperidinecarboxylic acids Alternative Parents Dialkylarylamines Aminopyridines and derivatives Aryl bromides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Piperidinecarboxylic acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears 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 Molecular Weight 313.190 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 312.047 Da Monoisotopic Mass 312.047 Da Topological Polar Surface Area 42.400 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 280.000 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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