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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde - ≥97% , CAS No.128455-62-9
Synonyms
BB 0304040 | 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde | AB02771 | 1H-Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-(trifluoromethyl)- | AMY12267 | 1-methyl-3-trifluoromethyl-5-chloropyrazole-4-carboxaldehyde | 5-chloro-1-methyl-3-(trif
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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 0304040 | 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde | AB02771 | 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-(trifluoromethyl)- | AMY12267 | 1-methyl-3-trifluoromethyl-5-chloropyrazole-4-carboxaldehyde | 5-chloro-1-methyl-3-(trif
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CN1C(=C(C(=N1)C(F)(F)F)C=O)Cl IUPAC Name 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde InChIKey PZOZNOVIRZSNHJ-UHFFFAOYSA-N INCHI 1S/C6H4ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h2H,1H3 Isomeric SMILES CN1C(=C(C(=N1)C(F)(F)F)C=O)Cl Molecular Weight 212.56 Reaxy-Rn 3547437 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3547437&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Aldehydes Direct Parent Aryl-aldehydes Alternative Parents Aryl chlorides Vinylogous halides Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl-aldehyde - Aryl chloride - Aryl halide - Azole - Pyrazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Alkyl halide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. 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 Melt Point(°C) 39-41° Molecular Weight 212.560 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 211.996 Da Monoisotopic Mass 211.996 Da Topological Polar Surface Area 34.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 211.000 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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