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

CAS: 116-16-5 Cat. No.: H109989 Fórmula: C₃Cl₆O Peso molecular: 264.75 Beilstein Registry Number: 1707475 Número EC: 204-129-5

CALIDAD & PUREZA ≥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

Descripción general

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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180750

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

2

RTECS

UC2100000

Número ONU

2661

Grupo de embalaje

III

Peso molecular

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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones
            • Level7 Alpha-chloroketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water and acetone.
• Sensibilidad: Heatand moisture sensitive
• Índice de refracción: 1.511
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 204°C
• Punto de fusión (°C): −6-2 °C (lit.)
• Peso molecular: 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