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

CAS: 457-68-1 Cat. No.: D155059 Summenformel: C₁₃H₁₀F₂ Molekulargewicht: 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

Übersicht

Product Application:

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

Specifications

Synonyme

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 |

Spezifikationen & Reinheit

≥99%(GC)

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥99%(GC)

Namen und Kennungen

• Pubchem Sid: 488186969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186969
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)F)F
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Hygroscopic
• Brechungsindex: 1.5360
• Flammpunkt (°F): 273°F
• Flammpunkt (°C): 134℃
• Siedepunkt (°C): 265℃
• Schmelzpunkt (°C): 28 °C
• Molekulargewicht: 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