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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 1-methyl-5-nitro-1H-pyrrole-2-carboxylate - ≥95% , CAS No.13138-75-5 🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CN1C(=CC=C1[N+](=O)[O-])C(=O)OC IUPAC Name methyl 1-methyl-5-nitropyrrole-2-carboxylate InChIKey XTRZUZWXTWKINM-UHFFFAOYSA-N INCHI 1S/C7H8N2O4/c1-8-5(7(10)13-2)3-4-6(8)9(11)12/h3-4H,1-2H3 Isómeros SMILES CN1C(=CC=C1[N+](=O)[O-])C(=O)OC CAS alternativo 13138-75-5 PubChem CID 14487173
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 Organic 1,3-dipolar compounds Clase Allyl-type 1,3-dipolar organic compounds Subclass Organic nitro compounds Intermediate Tree Nodes C-nitro compounds Direct Parent Nitroaromatic compounds Alternative Parents Pyrrole carboxylic acids and derivatives N-methylpyrroles Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations Molecular Framework Aromatic heteromonocyclic compounds Substituents Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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 Peso molecular 184.150 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 184.048 Da Monoisotopic Mass 184.048 Da Topological Polar Surface Area 77.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 225.000 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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