3，4’-Dichloropropiophenone - ≥97% , CAS No.3946-29-0

CAS: 3946-29-0 Cat. No.: D137588 Fórmula: C₉H₈Cl₂O Peso molecular: 203.06 Número CE: 223-537-4

GRADE & PURITY ≥97%

Synonyms

UNII-R2CZE36L2E | W-106428 | 3-chloro-4'-chloropropiophenone | 2-CHLOROETHYL P-CHLOROPHENYL KETONE | SR-01000393539 | 1-Propanone, 3-chloro-1-(4-chlorophenyl)- | .BETA.,P-DICHLOROPROPIOPHENONE | 4-(1,2-dimethylpyridin-1-ium-4-yl)-1,2-dimethyl-pyridin-1-iu

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

UNII-R2CZE36L2E | W-106428 | 3-chloro-4'-chloropropiophenone | 2-CHLOROETHYL P-CHLOROPHENYL KETONE | SR-01000393539 | 1-Propanone, 3-chloro-1-(4-chlorophenyl)- | .BETA.,P-DICHLOROPROPIOPHENONE | 4-(1,2-dimethylpyridin-1-ium-4-yl)-1,2-dimethyl-pyridin-1-iu

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488185423
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185423
• Sorrisos canónicos: C1=CC(=CC=C1C(=O)CCCl)Cl
• IUPAC Name: 3-chloro-1-(4-chlorophenyl)propan-1-one
• InChIKey: AYFJBHFMQODYBC-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2
• SMILES isoméricas: C1=CC(=CC=C1C(=O)CCCl)Cl
• Peso molecular: 203.06
• Reaxy-Rn: 1866915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866915&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: Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility in Acetone almost transparency
• Sensibilidade: Air sensitive
• Ponto de inflamação (°F): 230°F
• Ponto de inflamação (°C): >110℃
• Ponto de ebulição (°C): 135-137°/0.6mmHg
• Ponto de fusão (°C): 49-53℃
• Peso molecular: 203.060 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 201.995 Da
• Monoisotopic Mass: 201.995 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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