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

CAS: 116-16-5 Cat. No.: H109989 분자식: C₃Cl₆O 분자량: 264.75 Beilstein Registry Number: 1707475 EC 번호: 204-129-5

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488180750

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

RTECS

UC2100000

UN 번호

2661

포장 그룹

III

분자량

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Slightly soluble in water and acetone.
• 감도: Heatand moisture sensitive
• 굴절률: 1.511
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 204°C
• 녹는점(°C): −6-2 °C (lit.)
• 분자량: 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