4,4'-Difluorodiphenylmethane - ≥99%(GC) , CAS No.457-68-1

CAS: 457-68-1 Cat. No.: D155059 Fórmula: C₁₃H₁₀F₂ Peso molecular: 204.22 Beilstein Registry Number: 5(3)1789

GRADE & PURITY ≥99%(GC)

Synonyms

AC-17047 | BIS(P-FLUOROPHENYL)METHANE | DTXSID10196600 | 1-benzyl-4-fluoro-benzene | A826892 | MFCD00000360 | UNII-40KCF8K7O2 | EC 207-274-2 | 1334495-35-0 | SCHEMBL1468357 | NSC 51803 | 40KCF8K7O2 | PS-8133 | D1925 | 1-Fluoro-4-(4-fluorobenzyl)benzene |

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Product Application:

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Specifications

Sinónimos

AC-17047 | BIS(P-FLUOROPHENYL)METHANE | DTXSID10196600 | 1-benzyl-4-fluoro-benzene | A826892 | MFCD00000360 | UNII-40KCF8K7O2 | EC 207-274-2 | 1334495-35-0 | SCHEMBL1468357 | NSC 51803 | 40KCF8K7O2 | PS-8133 | D1925 | 1-Fluoro-4-(4-fluorobenzyl)benzene |

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

488186969

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186969

Sonrisas canónicas

C1=CC(=CC=C1CC2=CC=C(C=C2)F)F

IUPAC Name

1-fluoro-4-[(4-fluorophenyl)methyl]benzene

InChIKey

DXQVFHQUHOFROC-UHFFFAOYSA-N

INCHI

1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

Isómeros SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)F)F

Peso molecular

204.22

Beilstein

5(3)1789

Reaxy-Rn

1956387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1956387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Hygroscopic
• Índice de refracción: 1.5360
• Punto de inflamación (°F): 273°F
• Punto de inflamación (°C): 134℃
• Punto de ebullición (°C): 265℃
• Punto de fusión (°C): 28 °C
• Peso molecular: 204.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.075 Da
• Monoisotopic Mass: 204.075 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 157.000
• 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