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

CAS: 6157-98-8 Cat. No.: N185581 Summenformel: C₆H₂F₄N₂O₂ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528757486

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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