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· · COA & SDS available for every product · 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 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
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488187646 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187646 Canonical Smiles 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) Isomeric SMILES C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O RTECS UQ6437000 PubChem CID 121025 Molecular Weight 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 Class 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 Description 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 233 °C(dec.) Molecular Weight 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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