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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items methyl 5-nitro-1H-indazole-3-carboxylate - ≥97% , CAS No.78155-75-6
Synonyms
5-Nitro 1H-indazole-3-carboxylic acid methyl ester | AS-33720 | SCHEMBL5929615 | FT-0727957 | TUUGVBZYZYAHPC-UHFFFAOYSA-N | EN300-7403466 | METHYL5-NITRO-1H-INDAZOLE-3-CARBOXYLATE | 5-Nitro-2H-indazole-3-carboxylic acid methyl ester | AKOS015898479
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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
5-Nitro 1H-indazole-3-carboxylic acid methyl ester | AS-33720 | SCHEMBL5929615 | FT-0727957 | TUUGVBZYZYAHPC-UHFFFAOYSA-N | EN300-7403466 | METHYL5-NITRO-1H-INDAZOLE-3-CARBOXYLATE | 5-Nitro-2H-indazole-3-carboxylic acid methyl ester | AKOS015898479
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C1=NNC2=C1C=C(C=C2)[N+](=O)[O-] IUPAC Name methyl 5-nitro-1H-indazole-3-carboxylate InChIKey TUUGVBZYZYAHPC-UHFFFAOYSA-N INCHI 1S/C9H7N3O4/c1-16-9(13)8-6-4-5(12(14)15)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11) Isómeros SMILES COC(=O)C1=NNC2=C1C=C(C=C2)[N+](=O)[O-] Peso molecular 221.17 Reaxy-Rn 6728180 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6728180&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 Benzopyrazoles Subclass Indazoles Intermediate Tree Nodes Not available Direct Parent Indazoles Alternative Parents Pyrazole carboxylic acids and derivatives Nitroaromatic compounds Benzenoids Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzopyrazole - Indazole - Nitroaromatic compound - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. 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 Peso molecular 221.170 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 221.044 Da Monoisotopic Mass 221.044 Da Topological Polar Surface Area 101.000 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 304.000 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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