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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 5-nitrobenzofuran-2-carboxylate - ≥97%(GC) , CAS No.69604-00-8
Synonyms
2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester | Ethyl 5-nitrobenzo[b]furan-2-carboxylate | SCHEMBL2249264 | A836478 | ATHBGWVHAWGMAL-UHFFFAOYSA-N | DTXSID50989694 | Ethyl 5-nitrobenzofuran-2-carboxylate, 97% | 5-NITROBENZO[B]FURAN-2-CARBOXYLIC ACID E
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Why this grade ≥97%(GC) 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
2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester | Ethyl 5-nitrobenzo[b]furan-2-carboxylate | SCHEMBL2249264 | A836478 | ATHBGWVHAWGMAL-UHFFFAOYSA-N | DTXSID50989694 | Ethyl 5-nitrobenzofuran-2-carboxylate, 97% | 5-NITROBENZO[B]FURAN-2-CARBOXYLIC ACID E
Especificaciones y pureza
≥97%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191808 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191808 Sonrisas canónicas CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] IUPAC Name ethyl 5-nitro-1-benzofuran-2-carboxylate InChIKey ATHBGWVHAWGMAL-UHFFFAOYSA-N INCHI 1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3 Isómeros SMILES CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] WGK Alemania 3 Peso molecular 235.19 Reaxy-Rn 224977 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=224977&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 Benzofurans Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzofurans Alternative Parents Furoic acid esters Nitroaromatic compounds Benzenoids Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Furoic acid ester - Benzofuran - Furoic acid or derivatives - Nitroaromatic compound - Benzenoid - Furan - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. 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 Solubilidad Slightly soluble in Acetone Punto de fusión (°C) 153 °C Peso molecular 235.190 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 235.048 Da Monoisotopic Mass 235.048 Da Topological Polar Surface Area 85.300 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 313.000 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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