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

CAS: 56041-57-7 Cat. No.: D185217 Formula: C₈H₆Cl₂O Peso molecolare: 189 Numero EC: 259-954-3

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504756096

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di ebollizione (°C): 106-108°/2mm
• Peso molecolare: 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