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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 4-Nitropyrrole-2-carboxylate - ≥97% , CAS No.5930-92-7
Synonyms
DTXSID20287331 | FT-0647205 | SY006875 | 1H-Pyrrole-2-carboxylic acid, 4-nitro-, ethyl ester | Ethyl 4-nitro-1H-pyrrole-2-carboxylate | NSC50357 | NSC-50357 | ethyl 4-nitro-2-pyrrolecarboxylate | Ethyl 4-Nitropyrrole-2-carboxylate | DS-10795 | A832257 | A
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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
DTXSID20287331 | FT-0647205 | SY006875 | 1H-Pyrrole-2-carboxylic acid, 4-nitro-, ethyl ester | Ethyl 4-nitro-1H-pyrrole-2-carboxylate | NSC50357 | NSC-50357 | ethyl 4-nitro-2-pyrrolecarboxylate | Ethyl 4-Nitropyrrole-2-carboxylate | DS-10795 | A832257 | A
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCOC(=O)C1=CC(=CN1)[N+](=O)[O-] IUPAC Name ethyl 4-nitro-1H-pyrrole-2-carboxylate InChIKey PEORWHVRWXGKMS-UHFFFAOYSA-N INCHI 1S/C7H8N2O4/c1-2-13-7(10)6-3-5(4-8-6)9(11)12/h3-4,8H,2H2,1H3 Isómeros SMILES CCOC(=O)C1=CC(=CN1)[N+](=O)[O-] Peso molecular 184.15 Reaxy-Rn 169863 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=169863&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 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 Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 174 °C Peso molecular 184.150 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 184.048 Da Monoisotopic Mass 184.048 Da Topological Polar Surface Area 87.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 213.000 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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