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· · COA & SDS available for every product · Same-day shipping on in-stock items Pyroxasulfone - ≥97% , CAS No.447399-55-5
Synonyms
3-(((5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)sulfonyl)-5,5-dimethyl-4,5-dihydroisoxazole
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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 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
3-(((5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)sulfonyl)-5, 5-dimethyl-4, 5-dihydroisoxazole
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 528773979 Canonical Smiles CC1(CC(=NO1)S(=O)(=O)CC2=C(N(N=C2C(F)(F)F)C)OC(F)F)C IUPAC Name 3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole InChIKey CASLETQIYIQFTQ-UHFFFAOYSA-N INCHI 1S/C12H14F5N3O4S/c1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h10H,4-5H2,1-3H3 Isomeric SMILES CC1(CC(=NO1)S(=O)(=O)CC2=C(N(N=C2C(F)(F)F)C)OC(F)F)C Alternate CAS 447399-55-5 PubChem CID 11556910 MeSH Entry Terms pyroxasulfone Molecular Weight 391.32
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 Pyrazoles Alternative Parents Sulfones Isoxazolines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Isoxazoline - Pyrazole - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Oxacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. 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 Molecular Weight 391.320 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 5 Exact Mass 391.063 Da Monoisotopic Mass 391.063 Da Topological Polar Surface Area 91.200 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 632.000 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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