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· · COA & SDS available for every product · Same-day shipping on in-stock items Nicotinic acid benzyl ester - ≥98%(GC) , CAS No.94-44-0
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
Storage
Argon charged,Room temperature
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
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
Specifications & Purity
≥98%(GC)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488180327 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180327 Canonical Smiles 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 Isomeric SMILES C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2 WGK Germany 2 RTECS QT0850000 Molecular Weight 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 Class 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 Description 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Air Sensitive Freezing Point(°C) 22 °C Refractive Index 1.57 Flash Point(°F) 235.4 °F Flash Point(°C) 113℃ Boil Point(°C) 177℃ Melt Point(°C) 24℃ Molecular Weight 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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