4,4'-Difluorobenzil - ≥98% , CAS No.579-39-5

CAS: 579-39-5 Cat. No.: D154816 Formula: C₁₄H₈F₂O₂ Peso molecolare: 246.21 Numero EC: 628-355-2

GRADE & PURITY ≥98%

Synonyms

1,2-Bis(4-fluorophenyl)-1,2-ethanedione # | D2292 | (4-R)(2E,5E)-2,4,6-Trimethyl-3-hydroxy-2,5,7-octatriene-4-thiolide | 4,4'-Difluorobenzil, 98% | AKOS001076199 | difluorobenzil | 4,4 inverted exclamation mark -Difluorobenzil | FT-0617047 | MFCD00134541

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

4,4′-Difluorobenzil is a benzil derivative. Its reaction with benzylurea and phenethylurea has been investigated. It is reported to undergo condensation with Fe2(SH)2(CO)6 to afford the adduct Fe2[S2C2(OH)2(C6H4-4-F)2](CO)6.
4,4′-Difluorobenzil is suitable for use in the preparation of 2,3-bis(4-fluorophenyl)thieno[3,4-b]pyrazine. It may be used in the synthesis of following: ? poly(ether-α-diketone)s, via nucleophilic substitution reaction with bisphenol A ? 4,4′-difluoro-2,3-diphenylpyrazine (DPPF) and 4,4′-difluoro-5-methyl 2,3-diphenylpyrazine (MDPPF), via direct condensation with ethylenediamine and 1,2-diaminopropane, respectively ? 2,3-bis(4-fluorophenyl)quinoxaline, via direct condensation with 1,2-phenylenediamine.

Specifications

Sinonimi

1,2-Bis(4-fluorophenyl)-1,2-ethanedione # | D2292 | (4-R)(2E,5E)-2,4,6-Trimethyl-3-hydroxy-2,5,7-octatriene-4-thiolide | 4,4'-Difluorobenzil, 98% | AKOS001076199 | difluorobenzil | 4,4 inverted exclamation mark -Difluorobenzil | FT-0617047 | MFCD00134541

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504756894
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756894
• Sorrisi canonici: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
• IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-dione
• InChIKey: BRKULQOUSCHDGS-UHFFFAOYSA-N
• INCHI: 1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
• Isomeri SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
• WGK Germania: 3
• Peso molecolare: 246.21
• Reaxy-Rn: 1971736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1971736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzoyl derivatives Aryl ketones Fluorobenzenes Aryl fluorides Alpha-diketones Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Alpha-diketone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 120-122°C
• Peso molecolare: 246.210 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.049 Da
• Monoisotopic Mass: 246.049 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 282.000
• 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