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

CAS: 579-39-5 Cat. No.: D154816 Formule: C₁₄H₈F₂O₂ Poids moléculaire: 246.21 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504756894

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756894

Sourires canoniques

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

Isomères SMILES

C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F

WGK Allemagne

3

Poids moléculaire

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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 120-122°C
• Poids moléculaire: 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