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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Butyl Nicotinate - ≥95% , CAS No.6938-06-3
Synonyms
EINECS 230-064-7 | AI3-15771 | Butyl nicotinate | DTXSID4064509 | 1-Phenyl-1-propyn-3-ol | D91638 | N-Butyl-nicotinate | 3-Chloro phenyl acetylene | LD3V8A23CV | Nicotinic acid butyl ester | benzyl-2-naphthylether | FT-0636295 | BRN 0132654 | Ba 2674 | 5-
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Why this grade ≥95% 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
EINECS 230-064-7 | AI3-15771 | Butyl nicotinate | DTXSID4064509 | 1-Phenyl-1-propyn-3-ol | D91638 | N-Butyl-nicotinate | 3-Chloro phenyl acetylene | LD3V8A23CV | Nicotinic acid butyl ester | benzyl-2-naphthylether | FT-0636295 | BRN 0132654 | Ba 2674 | 5-
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCCCOC(=O)C1=CN=CC=C1 IUPAC Name butyl pyridine-3-carboxylate InChIKey DQULIMIQTCDUAN-UHFFFAOYSA-N INCHI 1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3 Isómeros SMILES CCCCOC(=O)C1=CN=CC=C1 Peso molecular 179.22 Reaxy-Rn 132654 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132654&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 Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids Alternative Parents Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 252 °C Peso molecular 179.220 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 179.095 Da Monoisotopic Mass 179.095 Da Topological Polar Surface Area 39.200 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 159.000 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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