2,4'-Difluorobenzophenone - ≥98% , CAS No.342-25-6

CAS: 342-25-6 Cat. No.: D100607 Summenformel: C₁₃H₈F₂O Molekulargewicht: 218.2 Beilstein Registry Number: 7(3)2070 EG-Nummer: 206-441-7

QUALITÄT & REINHEIT ≥98%

Synonyms

(2-Fluorophenyl)(4-fluorophenyl)methanone #|24'-Difluorobenzophenone|2,4`-Difluorobenzophenone|Methanone, (2-fluorophenyl)(4-fluorophenyl)-|(2-fluorophenyl)-(4-fluorophenyl)methanone|(2-Fluorophenyl)(4-fluorophenyl)methanone|2,4 inverted exclamation mark -Difluorobenzophenone|2',4-difluorobenzophenone|2,4'-Difluorobenzophenone

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

(2-Fluorophenyl)(4-fluorophenyl)methanone # | 24'-Difluorobenzophenone | 2,4`-Difluorobenzophenone | Methanone, (2-fluorophenyl)(4-fluorophenyl)- | (2-fluorophenyl)-(4-fluorophenyl)methanone | (2-Fluorophenyl)(4-fluorophenyl)methanone | 2,4 inverted exclamation mark -Difluorobenzophenone | 2',4-difluorobenzophenone | 2,4'-Difluorobenzophe Show more

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504754181

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754181

Kanonisches Lächeln

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

IUPAC Name

(2-fluorophenyl)-(4-fluorophenyl)methanone

InChIKey

LKFIWRPOVFNPKR-UHFFFAOYSA-N

INCHI

1S/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

218.2

Beilstein

7(3)2070

Reaxy-Rn

3268520

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3268520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ketone - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemische und physikalische Eigenschaften

• Gefrierpunkt (°C): 26 °C
• Brechungsindex: 1.5689
• Flammpunkt (°F): 113 °C
• Flammpunkt (°C): 113°C
• Siedepunkt (°C): 176-178°/16mmHg
• Schmelzpunkt (°C): 22-24°C
• Molekulargewicht: 218.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.054 Da
• Monoisotopic Mass: 218.054 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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