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· · COA & SDS available for every product · Same-day shipping on in-stock items KPT-276 - ≥98% , CAS No.1421919-75-6
Synonyms
2-Propen-1-one, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-1-(3,3-difluoro-1-azetidinyl)-, (2Z)- | (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
2-Propen-1-one, 3-[3-[3, 5-bis(trifluoromethyl)phenyl]-1H-1, 2, 4-triazol-1-yl]-1-(3, 3-difluoro-1-azetidinyl)-, (2Z)- | (Z)-3-[3-[3, 5-bis(trifluoromethyl)phenyl]-1, 2, 4-triazol-1-yl]-1-(3, 3-difluoroazetidin-1-yl)prop-2-en-1-one
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504772144 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772144 Canonical Smiles C1C(CN1C(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F IUPAC Name (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one InChIKey JCHAWRDHMUSLMM-UPHRSURJSA-N INCHI 1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1- Isomeric SMILES C1C(CN1C(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F Molecular Weight 426.26 Reaxy-Rn 28210665 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28210665&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 Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,4-triazoles Alternative Parents Trifluoromethylbenzenes Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Acrylic acids and derivatives Azetidines Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Acrylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Azetidine - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO 20 mg/mL Water <1 mg/mL Ethanol <1 mg/mL Molecular Weight 426.260 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 3 Exact Mass 426.073 Da Monoisotopic Mass 426.073 Da Topological Polar Surface Area 51.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 620.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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