2-Nitrotetrafluoroaniline - ≥95% , CAS No.6157-98-8

CAS: 6157-98-8 Cat. No.: N185581 Fórmula: C₆H₂F₄N₂O₂ Peso molecular: 210.09

GRADE & PURITY ≥95%

Synonyms

2-Amino-3,4,5,6-tetrafluoronitrobenzene | 2,3,4,5-tetrafluoro-6-nitroaniline | 2-nitro-3,4,5,6-tetrafluoroaniline | 2,3,4,5-tetrafluoro-6-nitrobenzenaMine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Amino-3,4,5,6-tetrafluoronitrobenzene | 2,3,4,5-tetrafluoro-6-nitroaniline | 2-nitro-3,4,5,6-tetrafluoroaniline | 2,3,4,5-tetrafluoro-6-nitrobenzenaMine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

528757486

Sonrisas canónicas

C1(=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-])N

IUPAC Name

2,3,4,5-tetrafluoro-6-nitroaniline

InChIKey

ZXGOZLMDKSUORL-UHFFFAOYSA-N

INCHI

1S/C6H2F4N2O2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9/h11H2

Isómeros SMILES

C1(=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-])N

Peso molecular

210.09

Reaxy-Rn

2810937

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2810937&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Aniline and substituted anilines Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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: 210.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 210.005 Da
• Monoisotopic Mass: 210.005 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 236.000
• 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