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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanone - ≥98% , CAS No.1367970-52-2
Synonyms
PYPMJCITMDCSQX-UHFFFAOYSA-N | 1-?[2-?(trifluoromethyl)?pyrimidin-?5-?yl]?ethanone | SY253714 | SB57448 | ZB0057 | SCHEMBL17553576 | 1-(2-Trifluoromethyl-pyrimidin-5-yl)-ethanone | 1-[2-(Trifluoromethyl)pyrimidin-5-yl]ethanone | 1-(2-(Trifluoromethyl)pyrim
Storage
Store at 2-8°C,Desiccated
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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 2-8°C,Desiccated 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
PYPMJCITMDCSQX-UHFFFAOYSA-N | 1-?[2-?(trifluoromethyl)?pyrimidin-?5-?yl]?ethanone | SY253714 | SB57448 | ZB0057 | SCHEMBL17553576 | 1-(2-Trifluoromethyl-pyrimidin-5-yl)-ethanone | 1-[2-(Trifluoromethyl)pyrimidin-5-yl]ethanone | 1-(2-(Trifluoromethyl)pyrim
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(=O)C1=CN=C(N=C1)C(F)(F)F IUPAC Name 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanone InChIKey PYPMJCITMDCSQX-UHFFFAOYSA-N INCHI 1S/C7H5F3N2O/c1-4(13)5-2-11-6(12-3-5)7(8,9)10/h2-3H,1H3 Isomeric SMILES CC(=O)C1=CN=C(N=C1)C(F)(F)F Alternate CAS 1367970-52-2 PubChem CID 82404282 Molecular Weight 190.12
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 Ketones - Aryl ketones Direct Parent Aryl alkyl ketones Alternative Parents Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl alkyl ketone - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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 190.120 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 190.035 Da Monoisotopic Mass 190.035 Da Topological Polar Surface Area 42.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 196.000 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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