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

CAS: 1897-53-6 Cat. No.: F191791 Fórmula: C₈H₃FN₂ Peso molecular: 146.12 Número CE: 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

Temperatura ambiente

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528753817
• Sorrisos canónicos: 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
• SMILES isoméricas: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (não 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 ação

Propriedades químicas e 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