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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid - ≥98% , CAS No.81282-82-8
Synonyms
BB 0217093 | AKOS000100786 | HMS2581E06 | Z50147716 | A1-01428 | F1930-0020 | FT-0678468 | 4-(3,5-Dimethyl-pyrazol-1-yl)-benzoic acid | 4-(3,5-dimethylpyrazol-1-yl)benzoic acid | STK286983 | 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid | LXNGKWBJIIXNBD-UH
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Why this grade ≥98% 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
BB 0217093 | AKOS000100786 | HMS2581E06 | Z50147716 | A1-01428 | F1930-0020 | FT-0678468 | 4-(3, 5-Dimethyl-pyrazol-1-yl)-benzoic acid | 4-(3, 5-dimethylpyrazol-1-yl)benzoic acid | STK286983 | 4-(3, 5-dimethyl-1H-pyrazol-1-yl)benzoic acid | LXNGKWBJIIXNBD-UH
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C IUPAC Name 4-(3,5-dimethylpyrazol-1-yl)benzoic acid InChIKey LXNGKWBJIIXNBD-UHFFFAOYSA-N INCHI 1S/C12H12N2O2/c1-8-7-9(2)14(13-8)11-5-3-10(4-6-11)12(15)16/h3-7H,1-2H3,(H,15,16) Isomeric SMILES CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C Molecular Weight 216.24 Reaxy-Rn 13685 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13685&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 Phenylpyrazoles Alternative Parents Benzoic acids Benzoyl 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 - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 Molecular Weight 216.240 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 216.09 Da Monoisotopic Mass 216.09 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 262.000 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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