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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid - ≥97% , CAS No.113100-53-1
Synonyms
Penthiopyrad metabolite PCA | FT-0646863 | 11M-321S | AM20080080 | TD8034 | M2628 | MFCD01936005 | AKOS005069408 | 1-methyl-3-trifluoromethyl-4-pyrazolecarboxylic acid | 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid | 1-methyl-3-trifluoromethyl-1
Storage
Argon charged,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
Penthiopyrad metabolite PCA | FT-0646863 | 11M-321S | AM20080080 | TD8034 | M2628 | MFCD01936005 | AKOS005069408 | 1-methyl-3-trifluoromethyl-4-pyrazolecarboxylic acid | 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid | 1-methyl-3-trifluoromethyl-1
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Names and Identifiers Canonical Smiles CN1C=C(C(=N1)C(F)(F)F)C(=O)O IUPAC Name 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid InChIKey FZNKJQNEJGXCJH-UHFFFAOYSA-N INCHI 1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13) Isomeric SMILES CN1C=C(C(=N1)C(F)(F)F)C(=O)O WGK Germany 2 PubChem CID 2775665 Molecular Weight 194.11
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 Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrazole-4-carboxylic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Heat & Air sensitive,Hygroscopic Melt Point(°C) 200-204°C Molecular Weight 194.110 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 194.03 Da Monoisotopic Mass 194.03 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 218.000 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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