2-Fluoroterephthalonitrile - ≥95% , CAS No.1897-53-6

CAS: 1897-53-6 Cat. No.: F191791 Fórmula: C₈H₃FN₂ Peso molecular: 146.12 Número EC: 807-323-3

GRADE & PURITY ≥95%

Synonyms

AKOS006278991 | Terephthalonitrile, fluoro- | A856768 | J-509529 | DULBJBXBNLVFBI-UHFFFAOYSA-N | FT-0645964 | MFCD01657004 | 2-Fluoroterephthalonitrile | 2-fluoro-terephthalonitrile | SCHEMBL1797379 | AMY23134 | 2-fluorobenzene-1,4-dicarbonitrile | PB4154

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006278991 | Terephthalonitrile, fluoro- | A856768 | J-509529 | DULBJBXBNLVFBI-UHFFFAOYSA-N | FT-0645964 | MFCD01657004 | 2-Fluoroterephthalonitrile | 2-fluoro-terephthalonitrile | SCHEMBL1797379 | AMY23134 | 2-fluorobenzene-1,4-dicarbonitrile | PB4154

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 528753817
• Sonrisas canónicas: C1=CC(=C(C=C1C#N)F)C#N
• IUPAC Name: 2-fluorobenzene-1,4-dicarbonitrile
• InChIKey: DULBJBXBNLVFBI-UHFFFAOYSA-N
• INCHI: 1S/C8H3FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1C#N)F)C#N
• Peso molecular: 146.12
• Reaxy-Rn: 8309888
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8309888&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 146.120 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146.028 Da
• Monoisotopic Mass: 146.028 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 231.000
• 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