2-(2,4-Difluorophenyl)-1H-imidazole - ≥95% , CAS No.885278-05-7

CAS: 885278-05-7 Cat. No.: D195553 Peso molecular: 180.15 Número EC: 806-233-1

GRADE & PURITY ≥95%

Synonyms

MFCD06804548 | C76931 | AB30372 | DS-7972 | SY057678 | 2-(2,4-difluoro-phenyl)-1H-imidazole, AldrichCPR | 2-(2,4-Difluorophenyl)imidazole | FT-0695476 | SCHEMBL1688439 | AKOS006286751 | A861936 | DTXSID90695843 | 2-(2,4-DIFLUORO-PHENYL)-1H-IMIDAZOLE | 2-(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD06804548 | C76931 | AB30372 | DS-7972 | SY057678 | 2-(2, 4-difluoro-phenyl)-1H-imidazole, AldrichCPR | 2-(2, 4-Difluorophenyl)imidazole | FT-0695476 | SCHEMBL1688439 | AKOS006286751 | A861936 | DTXSID90695843 | 2-(2, 4-DIFLUORO-PHENYL)-1H-IMIDAZOLE | 2-(

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1F)F)C2=NC=CN2
• IUPAC Name: 2-(2,4-difluorophenyl)-1H-imidazole
• InChIKey: UTESDAIRLAONKQ-UHFFFAOYSA-N
• INCHI: 1S/C9H6F2N2/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-5H,(H,12,13)
• Isómeros SMILES: C1=CC(=C(C=C1F)F)C2=NC=CN2
• Peso molecular: 180.15
• Reaxy-Rn: 38295116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38295116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

• Peso molecular: 180.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.05 Da
• Monoisotopic Mass: 180.05 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• 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