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· · COA & SDS available for every product · Same-day shipping on in-stock items Chloropentafluoroacetone Monohydrate - ≥95%(T) , CAS No.6984-99-2
Synonyms
CHLOROPENTAFLUOROACETONEMONOHYDRATE | FT-0636330 | 1-chloranyl-1,1,3,3,3-pentakis(fluoranyl)propan-2-one hydrate | 1-chloro-1,1,3,3,3-pentafluoropropan-2-one;hydrate | FS-4158 | D89341 | AKOS007930110 | 1-chloro-1,1,3,3,3-pentafluoropropan-2-one hydrate |
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Why this grade ≥95%(T) 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
CHLOROPENTAFLUOROACETONEMONOHYDRATE | FT-0636330 | 1-chloranyl-1, 1, 3, 3, 3-pentakis(fluoranyl)propan-2-one hydrate | 1-chloro-1, 1, 3, 3, 3-pentafluoropropan-2-one;hydrate | FS-4158 | D89341 | AKOS007930110 | 1-chloro-1, 1, 3, 3, 3-pentafluoropropan-2-one hydrate |
Specifications & Purity
≥95%(T)
Names and Identifiers Canonical Smiles C(=O)(C(F)(F)F)C(F)(F)Cl.O IUPAC Name 1-chloro-1,1,3,3,3-pentafluoropropan-2-one;hydrate InChIKey CMMNKPFHVMVGQH-UHFFFAOYSA-N INCHI 1S/C3ClF5O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2 Isomeric SMILES C(=O)(C(F)(F)F)C(F)(F)Cl.O RTECS UC1225000 PubChem CID 23616285 Molecular Weight 182.47 Reaxy-Rn 1773589
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 - Alpha-haloketones Direct Parent Alpha-chloroketones Alternative Parents Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides Molecular Framework Aliphatic acyclic compounds Substituents Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O 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 Refractive Index 1.35 Melt Point(°C) 19 °C Molecular Weight 200.490 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 1 Exact Mass 199.966 Da Monoisotopic Mass 199.966 Da Topological Polar Surface Area 18.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 149.000 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 2
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