2-Fluoroaniline - ≥99% , CAS No.348-54-9

CAS: 348-54-9 Cat. No.: F107841 Summenformel: C₆H₆FN Molekulargewicht: 111.12 Beilstein Registry Number: 1524219 EG-Nummer: 206-478-9

QUALITÄT & REINHEIT ≥99%

Storage

Room temperature,Argon charged

Shipped In

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Übersicht

An intermediate in the synthesis of Flurbiprofen.

Spezifikationen

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Metabolism and excretion of the xenobiotic compound 2-fluoroaniline is important due to human exposure to manufacture. It was found to be metabolized very efficiently, mainly by 4-hydroxylation with subsequent formation of sulfate or glucuronide. N-acetyl

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488180996

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180996

Kanonisches Lächeln

C1=CC=C(C(=C1)N)F

IUPAC Name

2-fluoroaniline

InChIKey

FTZQXOJYPFINKJ-UHFFFAOYSA-N

INCHI

1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

Isomere SMILES

C1=CC=C(C(=C1)N)F

WGK Deutschland

3

UN-Nummer

2941

Verpackungsgruppe

III

Molekulargewicht

111.12

Beilstein

1524219

Reaxy-Rn

1524219

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524219&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: primary arylamine - fluoroaniline

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light & Air Sensitive.
• Brechungsindex: 1.54
• Flammpunkt (°F): 60 °C
• Flammpunkt (°C): 60°C
• Siedepunkt (°C): 170°C
• Molekulargewicht: 111.120 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.048 Da
• Monoisotopic Mass: 111.048 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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