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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Phenylpyrazole-5-carboxylic Acid - ≥97% , CAS No.5071-61-4
Synonyms
5-Phenyl-1H-pyrazole-3-carboxylic acid, AldrichCPR | 3-Phenyl-1H-pyrazole-5-carboxylic acid, 97% | J-002966 | beta-SITOSTEROL-GLUCOSIDE | HMS2206M19 | SR-01000597145 | 5-Phenyl-1H-pyrazole-3-carboxylic acid | 5-Phenyl-1H-pyrazole-3-carboxylicacid | 3-phen
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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-Phenyl-1H-pyrazole-3-carboxylic acid, AldrichCPR | 3-Phenyl-1H-pyrazole-5-carboxylic acid, 97% | J-002966 | beta-SITOSTEROL-GLUCOSIDE | HMS2206M19 | SR-01000597145 | 5-Phenyl-1H-pyrazole-3-carboxylic acid | 5-Phenyl-1H-pyrazole-3-carboxylicacid | 3-phen
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488187646 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187646 Sonrisas canónicas C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O IUPAC Name 3-phenyl-1H-pyrazole-5-carboxylic acid InChIKey QBPUOAJBMXXBNU-UHFFFAOYSA-N INCHI 1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14) Isómeros SMILES C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O RTECS UQ6437000 PubChem CID 121025 Peso molecular 188.19 Reaxy-Rn 609874
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 Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazole carboxylic acids and derivatives Benzene and substituted derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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 Punto de fusión (°C) 233 °C(dec.) Peso molecular 188.180 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 188.059 Da Monoisotopic Mass 188.059 Da Topological Polar Surface Area 66.000 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 214.000 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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