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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone - ≥97% , CAS No.61466-44-2
Synonyms
WTRJNEICFURGNX-UHFFFAOYSA-N | Oprea1_398994 | (2-hydroxyphenyl)(1-phenyl-1h-pyrazol-4-yl)methanone | (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone | 4-(2-hydroxybenzoyl)-1-phenylpyrazole | DTXSID60350957 | TimTec1_003985 | AKOS001045137 | cid_688697 |
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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 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.
Descripción general Description
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone is a heterocyclic building block.
Specifications Sinónimos
WTRJNEICFURGNX-UHFFFAOYSA-N | Oprea1_398994 | (2-hydroxyphenyl)(1-phenyl-1h-pyrazol-4-yl)methanone | (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone | 4-(2-hydroxybenzoyl)-1-phenylpyrazole | DTXSID60350957 | TimTec1_003985 | AKOS001045137 | cid_688697 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504759895 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759895 Sonrisas canónicas C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O IUPAC Name (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone InChIKey WTRJNEICFURGNX-UHFFFAOYSA-N INCHI 1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H Isómeros SMILES C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O Peso molecular 264.28 Reaxy-Rn 886481 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=886481&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 Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoylpyrazoles Alternative Parents Aryl-phenylketones Phenylpyrazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzoylpyrazole - Aryl-phenylketone - Phenylpyrazole - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Pyrazole - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoylpyrazoles. These are aromatic compounds containing a benzoyl group substituted with a pyrazole 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) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 108-110 °C Peso molecular 264.280 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 264.09 Da Monoisotopic Mass 264.09 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 341.000 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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