(3,5-Difluorophenyl)(phenyl)methanone - ≥98% , CAS No.179113-89-4

CAS: 179113-89-4 Cat. No.: D578719 Peso molecular: 218.2 Número EC: 642-490-4

GRADE & PURITY ≥98%

Synonyms

MFCD00061140 | AKOS009157607 | (3,5-Difluorophenyl)(phenyl)methanone | (3,5-difluorophenyl)-phenylmethanone | DTXSID20341043 | Methanone, (3,5-difluorophenyl)phenyl- | A812428 | PS-7905 | SY227742 | FT-0614597 | SCHEMBL2012795 | (3,5-Difluorophenyl)(pheny

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00061140 | AKOS009157607 | (3, 5-Difluorophenyl)(phenyl)methanone | (3, 5-difluorophenyl)-phenylmethanone | DTXSID20341043 | Methanone, (3, 5-difluorophenyl)phenyl- | A812428 | PS-7905 | SY227742 | FT-0614597 | SCHEMBL2012795 | (3, 5-Difluorophenyl)(pheny

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190352
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)F)F
• IUPAC Name: (3,5-difluorophenyl)-phenylmethanone
• InChIKey: PNRLNUIMFIMZLI-UHFFFAOYSA-N
• INCHI: 1S/C13H8F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)F)F
• Peso molecular: 218.2
• Reaxy-Rn: 7919206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7919206&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 116-118°/5mm
• Punto de fusión (°C): 57-59°
• Peso molecular: 218.200 g/mol
• XLogP3: 3.600
• 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: 238.000
• 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