Hexachloroacetone - ≥99% , CAS No.116-16-5

CAS: 116-16-5 Cat. No.: H109989 Summenformel: C₃Cl₆O Molekulargewicht: 264.75 Beilstein Registry Number: 1707475 EG-Nummer: 204-129-5

QUALITÄT & REINHEIT ≥99%

Synonyms

1,1,1,3,3,3-Hexachloroacetone # | HEXACHLOROACETONE [HSDB] | HEXACHLOROACETONE | hexachloro-acetone | EC 204-129-5 | Hexachloroacetone Hexachloro-2-propanone | HCA weedkiller | HCA [Herbicide] | Bis(trichloromethyl) ketone | 1,1,3,3,3-Hexachloropropanone

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Übersicht

Reagent used for the polymerization of vinyl compounds and for the conversion of nucleoside-3′-phosphonates to the corresponding phosphates

Spezifikationen

Synonyme

1,1,1,3,3,3-Hexachloroacetone # | HEXACHLOROACETONE [HSDB] | HEXACHLOROACETONE | hexachloro-acetone | EC 204-129-5 | Hexachloroacetone Hexachloro-2-propanone | HCA weedkiller | HCA [Herbicide] | Bis(trichloromethyl) ketone | 1,1,3,3,3-Hexachloropropanone

Spezifikationen & Reinheit

≥99%

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488180750

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180750

Kanonisches Lächeln

C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

IUPAC Name

1,1,1,3,3,3-hexachloropropan-2-one

InChIKey

DOJXGHGHTWFZHK-UHFFFAOYSA-N

INCHI

1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9

Isomere SMILES

C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

WGK Deutschland

2

RTECS

UC2100000

UN-Nummer

2661

Verpackungsgruppe

III

Molekulargewicht

264.75

Beilstein

1707475

Reaxy-Rn

1707475

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Alpha-haloketones
            • Ebene7 Alpha-chloroketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Alpha-haloketones
• Direct Parent: Alpha-chloroketones
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: 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: ketone

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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water and acetone.
• Empfindlichkeit: Heatand moisture sensitive
• Brechungsindex: 1.511
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 204°C
• Schmelzpunkt (°C): −6-2 °C (lit.)
• Molekulargewicht: 264.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 263.805 Da
• Monoisotopic Mass: 261.808 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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