2',6'-Dichloro-3'-fluoroacetophenone - ≥97% , CAS No.290835-85-7

CAS: 290835-85-7 Cat. No.: D115325 Fórmula: C₈H₅Cl₂FO Peso molecular: 207.03 Número EC: 627-895-6

GRADE & PURITY ≥97%

Synonyms

2`,6`-Dichloro-3`-fluoroacetophenone | Z104509154 | 1-(2,6-dichloro-3-fluorophenyl)ethan-1-one | 2',6'-Dichloro-3'-fluoroacetophenone, 98% | BP-10594 | SCHEMBL488779 | 2',6'-dichloro-5'-fluoroacetophenone | AM20061080 | PB47336 | 2,6-Dichloro-3-Fluro Acet

Storage

Room temperature

Shipped In

Normal

Descripción general

2′,6′-Dichloro-3′-fluoroacetophenone is an aryl fluorinated building block.

2′,6′-Dichloro-3′-fluoroacetophenone (2,6-Dichloro-3-fluoroacetophenone) may be used to synthesize the enantiomerically pure form of (S)-1-(2,6-dichloro-3-fluorophenyl)ethanol.

Specifications

Sinónimos

2`,6`-Dichloro-3`-fluoroacetophenone | Z104509154 | 1-(2,6-dichloro-3-fluorophenyl)ethan-1-one | 2',6'-Dichloro-3'-fluoroacetophenone, 98% | BP-10594 | SCHEMBL488779 | 2',6'-dichloro-5'-fluoroacetophenone | AM20061080 | PB47336 | 2,6-Dichloro-3-Fluro Acet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488192463

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192463

Sonrisas canónicas

CC(=O)C1=C(C=CC(=C1Cl)F)Cl

IUPAC Name

1-(2,6-dichloro-3-fluorophenyl)ethanone

InChIKey

VJBFZHHRVCPAPZ-UHFFFAOYSA-N

INCHI

1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3

Isómeros SMILES

CC(=O)C1=C(C=CC(=C1Cl)F)Cl

WGK Alemania

3

Número ONU

2810

Peso molecular

207.03

Reaxy-Rn

8681499

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8681499&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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 Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Vinylogous halide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organofluoride - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.529
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 255°C
• Peso molecular: 207.030 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.97 Da
• Monoisotopic Mass: 205.97 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 290835-85-7, the molecular formula is C8H5Cl2FO, and the molecular weight is 207.03 g/mol. InChIKey VJBFZHHRVCPAPZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.