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

CAS: 116-16-5 Cat. No.: H109989 分子式: C₃Cl₆O 分子量: 264.75 Beilstein Registry Number: 1707475 EC番号: 204-129-5

グレード＆純度 ≥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

概要

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

仕様

同義語

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

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥99%

名前と識別子

パブケム・シド

488180750

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

UC2100000

UN番号

2661

包装グループ

III

分子量

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Slightly soluble in water and acetone.
• 感度: Heatand moisture sensitive
• 屈折率: 1.511
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 204°C
• 融点（°C）: −6-2 °C (lit.)
• 分子量: 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