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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 5-nitro-1H-imidazole-2-carboxylate - ≥97% , CAS No.865998-46-5
Synonyms
SY353057 | AB44510 | AC-27129 | ethyl 4-nitro-1H-imidazole-2-carboxylate;Ethyl 5-nitro-1H-imidazole-2-carboxylate | A855093 | AKOS015901682 | SY111757 | DTXSID20693337 | YSVPLWXCZZORIO-UHFFFAOYSA-N | MFCD19442194 | W16675 | Ethyl 5-nitro-1H-imidazole-2-ca
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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
SY353057 | AB44510 | AC-27129 | ethyl 4-nitro-1H-imidazole-2-carboxylate;Ethyl 5-nitro-1H-imidazole-2-carboxylate | A855093 | AKOS015901682 | SY111757 | DTXSID20693337 | YSVPLWXCZZORIO-UHFFFAOYSA-N | MFCD19442194 | W16675 | Ethyl 5-nitro-1H-imidazole-2-ca
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504771135 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771135 Sonrisas canónicas CCOC(=O)C1=NC=C(N1)[N+](=O)[O-] IUPAC Name ethyl 5-nitro-1H-imidazole-2-carboxylate InChIKey YSVPLWXCZZORIO-UHFFFAOYSA-N INCHI 1S/C6H7N3O4/c1-2-13-6(10)5-7-3-4(8-5)9(11)12/h3H,2H2,1H3,(H,7,8) Isómeros SMILES CCOC(=O)C1=NC=C(N1)[N+](=O)[O-] Peso molecular 185.14 Reaxy-Rn 19763088 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19763088&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 Azoles Subclass Imidazoles Intermediate Tree Nodes Substituted imidazoles Direct Parent Nitroimidazoles Alternative Parents Nitroaromatic compounds Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Nitroaromatic compound - Nitroimidazole - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 185.140 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 185.044 Da Monoisotopic Mass 185.044 Da Topological Polar Surface Area 101.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 214.000 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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