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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 2-(3-cyanopyridin-4-yl)acetate - ≥97% , CAS No.124870-33-3
Synonyms
NWUXXKOZANWHAK-UHFFFAOYSA-N | AKOS015998634 | METHYL 2-(3-CYANOPYRIDIN-4-YL)ACETATE | AMY10823 | Methyl 2-(3-Cyano-4-pyridyl)acetate | DS-16333 | (3-cyano-pyridine-4-yl)-acetic acid methyl ester | Methyl2-(3-cyanopyridin-4-yl)acetate | MFCD11847770 | DTXS
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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
NWUXXKOZANWHAK-UHFFFAOYSA-N | AKOS015998634 | METHYL 2-(3-CYANOPYRIDIN-4-YL)ACETATE | AMY10823 | Methyl 2-(3-Cyano-4-pyridyl)acetate | DS-16333 | (3-cyano-pyridine-4-yl)-acetic acid methyl ester | Methyl2-(3-cyanopyridin-4-yl)acetate | MFCD11847770 | DTXS
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)CC1=C(C=NC=C1)C#N IUPAC Name methyl 2-(3-cyanopyridin-4-yl)acetate InChIKey NWUXXKOZANWHAK-UHFFFAOYSA-N INCHI 1S/C9H8N2O2/c1-13-9(12)4-7-2-3-11-6-8(7)5-10/h2-3,6H,4H2,1H3 Isómeros SMILES COC(=O)CC1=C(C=NC=C1)C#N Peso molecular 176.17 Reaxy-Rn 5001183 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5001183&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 Clase Pyridines and derivatives Subclass 3-pyridinecarbonitriles Intermediate Tree Nodes Not available Direct Parent 3-pyridinecarbonitriles Alternative Parents Methyl esters Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 3-pyridinecarbonitrile - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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 176.170 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 176.059 Da Monoisotopic Mass 176.059 Da Topological Polar Surface Area 63.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 231.000 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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