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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Nicotinic acid benzyl ester - analytical standard , CAS No.94-44-0
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Synonyms
D77312 | NCGC00166105-03 | 4eh5 | Benzylnicotinate | A23904 | Estru benzylowego kwasu nikotynowego | Benzyl nicotinate (JAN) | NCGC00166105-02 | W-100195 | AC-13029 | D01419 | AB01328141-02 | Nicotinic acid benzyl ester | BRN 0159169 | NCGC00166105-01 | K
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Why this grade analytical standard Analytical standard 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
D77312 | NCGC00166105-03 | 4eh5 | Benzylnicotinate | A23904 | Estru benzylowego kwasu nikotynowego | Benzyl nicotinate (JAN) | NCGC00166105-02 | W-100195 | AC-13029 | D01419 | AB01328141-02 | Nicotinic acid benzyl ester | BRN 0159169 | NCGC00166105-01 | K
Especificaciones y pureza
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2 IUPAC Name benzyl pyridine-3-carboxylate InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N INCHI 1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 Isómeros SMILES C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2 WGK Alemania 2 RTECS QT0850000 Peso molecular 213.23 Beilstein 159169 Reaxy-Rn 159169 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=159169&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 Benzyloxycarbonyls Intermediate Tree Nodes Not available Direct Parent Benzyloxycarbonyls Alternative Parents Pyridinecarboxylic acids 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 Benzyloxycarbonyl - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. External Descriptors carboxylic ester 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 congelación (°C) 22 °C Índice de refracción 1.57 Punto de inflamación (°F) 235.4 °F Punto de inflamación (°C) 113℃ Punto de ebullición (°C) 177℃ Punto de fusión (°C) 24℃ Peso molecular 213.230 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 213.079 Da Monoisotopic Mass 213.079 Da Topological Polar Surface Area 39.200 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 224.000 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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