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· · COA & SDS available for every product · Same-day shipping on in-stock items Pyrazole-3-carboxylic Acid - ≥98%(HPLC) , CAS No.1621-91-6
Synonyms
1H-Pyrazole-5-carboxylic acid | 1H-Pyrazole-5-carboxylic acid # | 2H-PYRAZOLE-3-CARBOXYLICACID | 3-pyrazole carboxylic acid | PD179580 | AB01273973-01 | AB06191 | BB 0265903 | pyrazole-5-carboxylic | AC-1719 | Pyrazolic acid | SY002921 | 1H-Pyrazole-5-car
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Why this grade ≥98%(HPLC) 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
1H-Pyrazole-5-carboxylic acid | 1H-Pyrazole-5-carboxylic acid # | 2H-PYRAZOLE-3-CARBOXYLICACID | 3-pyrazole carboxylic acid | PD179580 | AB01273973-01 | AB06191 | BB 0265903 | pyrazole-5-carboxylic | AC-1719 | Pyrazolic acid | SY002921 | 1H-Pyrazole-5-car
Specifications & Purity
≥98%(HPLC)
Names and Identifiers Pubchem Sid 488190383 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488190383 Canonical Smiles C1=C(NN=C1)C(=O)O IUPAC Name 1H-pyrazole-5-carboxylic acid InChIKey KOPFEFZSAMLEHK-UHFFFAOYSA-N INCHI 1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8) Isomeric SMILES C1=C(NN=C1)C(=O)O Molecular Weight 112.09 Beilstein 25(2)102 Reaxy-Rn 606625 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606625&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 Class Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Pyrazole carboxylic acids and derivatives Alternative Parents 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 Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid 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 Solubility Soluble in Methanol Melt Point(°C) 213°C(dec.)(lit.) Molecular Weight 112.090 g/mol XLogP3 0.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 112.027 Da Monoisotopic Mass 112.027 Da Topological Polar Surface Area 66.000 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 104.000 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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