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

CAS: 290835-85-7 Cat. No.: D115325 Formula: C₈H₅Cl₂FO Peso molecolare: 207.03 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488192463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192463
• Sorrisi canonici: 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
• Isomeri SMILES: CC(=O)C1=C(C=CC(=C1Cl)F)Cl
• WGK Germania: 3
• Numero UN: 2810
• Peso molecolare: 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
    • 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 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
• 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

• Indice di rifrazione: 1.529
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 255°C
• Peso molecolare: 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

Riferimenti

1. Chuhong Zong, Xu Zhang, Fei Yang, Yafeng Zhou, Nan Chen, Zuisu Yang, Guofang Ding, Fangmiao Yu, Yunping Tang.  (2019)  Biotransformation of a crizotinib intermediate using a mutant alcohol dehydrogenase of Lactobacillus kefir coupled with glucose dehydrogenase.  PREPARATIVE BIOCHEMISTRY & BIOTECHNOLOGY,      [PMID:30957714] [10.1080/10826068.2019.1591987]

Domande frequenti

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.