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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone - ≥95%(T) , CAS No.89-29-2
Synonyms
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide | 3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE | 3-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1YL)-Benzenesulfonamide | DTXSID0058984 | m-(4,5-Dihydro-3-methyl-5-oxo-1H-py
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Why this grade ≥95%(T) 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
3-(3-methyl-5-oxo-4, 5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide | 3-(4, 5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE | 3-(4, 5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1YL)-Benzenesulfonamide | DTXSID0058984 | m-(4, 5-Dihydro-3-methyl-5-oxo-1H-py
Especificaciones y pureza
≥95%(T)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)N IUPAC Name 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide InChIKey ASVVGQURNHNITH-UHFFFAOYSA-N INCHI 1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16) Isómeros SMILES CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)N Peso molecular 253.28 Reaxy-Rn 14759700 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14759700&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzenesulfonamides Intermediate Tree Nodes Not available Direct Parent Benzenesulfonamides Alternative Parents Benzenesulfonyl compounds Pyrazolones Organosulfonamides Aminosulfonyl compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzenesulfonamide - Benzenesulfonyl group - Pyrazolinone - Organosulfonic acid amide - Pyrazoline - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. 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) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 196 °C Peso molecular 253.280 g/mol XLogP3 -0.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 253.052 Da Monoisotopic Mass 253.052 Da Topological Polar Surface Area 101.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 452.000 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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