4,4'-Difluorobenzophenone - ≥99% , CAS No.345-92-6

CAS: 345-92-6 Cat. No.: M106424 分子式: C₁₃H₈F₂O 分子量: 218.2 Beilstein Registry Number: 516231 EC番号: 206-466-3

GRADE & PURITY ≥99%

Synonyms

Bis(4-fluorophenyl) ketone | Bis(4-fluorophenyl)methanone

Storage

Room temperature

Shipped In

Normal

概要

Application：

4,4′-Difluorobenzophenone has been used in the study of thermal stability, water uptake and proton conductivity of carboxylated, carboxylated/sulfonated, and crosslinked membranes.

Specifications

同義語

Bis(4-fluorophenyl) ketone | Bis(4-fluorophenyl)methanone

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488180994

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180994

カノニカル・スマイル

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

IUPAC Name

bis(4-fluorophenyl)methanone

InChIKey

LSQARZALBDFYQZ-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

3

RTECS

DJ0685000

分子量

218.2

Beilstein

516231

Reaxy-Rn

516231

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=516231&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water; Soluble in Toluene,Ethanol
• 引火点（°F）: 305.6 °F
• 引火点（°C）: 152 °C
• 沸点（°C）: 170-172℃/10mm
• 融点（°C）: 102-105°C
• 分子量: 218.200 g/mol
• XLogP3: 3.800
• 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: 214.000
• 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