2',3'-Dichloroacetophenone - ≥98% , CAS No.56041-57-7

CAS: 56041-57-7 Cat. No.: D185217 Summenformel: C₈H₆Cl₂O Molekulargewicht: 189 EG-Nummer: 259-954-3

QUALITÄT & REINHEIT ≥98%

Synonyms

PS-6045 | AC-18308 | KMABBMYSEVZARZ-UHFFFAOYSA-N | 2',3'-Dichloroacetophenone | 2,3-Dichloroacetophenone | 1-(2,3-Dichlorophenyl)ethan-1-one | A830897 | WN2KG56TE3 | 1-(2,3-dichlorophenyl)-1-ethanone | BBL103357 | EINECS 259-954-3 | Ethanone, 1-(2,3-dichl

Storage

Room temperature,Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

PS-6045 | AC-18308 | KMABBMYSEVZARZ-UHFFFAOYSA-N | 2',3'-Dichloroacetophenone | 2,3-Dichloroacetophenone | 1-(2,3-Dichlorophenyl)ethan-1-one | A830897 | WN2KG56TE3 | 1-(2,3-dichlorophenyl)-1-ethanone | BBL103357 | EINECS 259-954-3 | Ethanone, 1-(2,3-dichl

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504756096

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756096

Kanonisches Lächeln

CC(=O)C1=C(C(=CC=C1)Cl)Cl

IUPAC Name

1-(2,3-dichlorophenyl)ethanone

InChIKey

KMABBMYSEVZARZ-UHFFFAOYSA-N

INCHI

1S/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3

Isomere SMILES

CC(=O)C1=C(C(=CC=C1)Cl)Cl

Molekulargewicht

189

Reaxy-Rn

2438815

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2438815&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous halide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Siedepunkt (°C): 106-108°/2mm
• Molekulargewicht: 189.040 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.98 Da
• Monoisotopic Mass: 187.98 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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