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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid - ≥97% , CAS No.1402664-77-0
Synonyms
1402664-77-0 | CGC66477 | MFCD28013128 | EN300-6476879 | SY280246 | 1-(Trifluoromethyl)-1H-pyrazole-4-carboxylicacid | AB91366 | AS-77769 | P18818 | 1-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid | 1-Trifluoromethyl-1H-pyrazole-4-carboxylic acid | SCHE
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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
1402664-77-0 | CGC66477 | MFCD28013128 | EN300-6476879 | SY280246 | 1-(Trifluoromethyl)-1H-pyrazole-4-carboxylicacid | AB91366 | AS-77769 | P18818 | 1-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid | 1-Trifluoromethyl-1H-pyrazole-4-carboxylic acid | SCHE
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1=C(C=NN1C(F)(F)F)C(=O)O IUPAC Name 1-(trifluoromethyl)pyrazole-4-carboxylic acid InChIKey MCLKZJLGDFGFLI-UHFFFAOYSA-N INCHI 1S/C5H3F3N2O2/c6-5(7,8)10-2-3(1-9-10)4(11)12/h1-2H,(H,11,12) Isomeric SMILES C1=C(C=NN1C(F)(F)F)C(=O)O Alternate CAS 1402664-77-0 PubChem CID 67362059 Molecular Weight 180.09
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 Trihalomethanes Carboxylic acids Azacyclic 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 - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Halomethane - 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 Molecular Weight 180.080 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 180.015 Da Monoisotopic Mass 180.015 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 194.000 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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