4-(2-Fluorophenoxy)aniline - ≥98% , CAS No.305801-12-1

CAS: 305801-12-1 Cat. No.: F588652 Summenformel: C₁₂H₁₀FNO Molekulargewicht: 203.22 EG-Nummer: 843-436-4

GRADE & PURITY ≥98%

Synonyms

AKOS000214858 | 4-(2-fluorophenoxy)phenylamine | 4-(2-Fluoro-phenoxy)-phenylamine | LS-02048 | 4-(2-fluorophenoxy)benzenamine | C78131 | Z330804210 | SB78011 | 4-(2-fluorophenoxy)aniline | STK500981 | SCHEMBL1585043 | DTXSID20408564 | EN300-384533 | Benze

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS000214858 | 4-(2-fluorophenoxy)phenylamine | 4-(2-Fluoro-phenoxy)-phenylamine | LS-02048 | 4-(2-fluorophenoxy)benzenamine | C78131 | Z330804210 | SB78011 | 4-(2-fluorophenoxy)aniline | STK500981 | SCHEMBL1585043 | DTXSID20408564 | EN300-384533 | Benze

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809228

Kanonisches Lächeln

C1=CC=C(C(=C1)OC2=CC=C(C=C2)N)F

IUPAC Name

4-(2-fluorophenoxy)aniline

InChIKey

XOTBQGILYQQOKD-UHFFFAOYSA-N

INCHI

1S/C12H10FNO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H,14H2

Isomere SMILES

C1=CC=C(C(=C1)OC2=CC=C(C=C2)N)F

Molekulargewicht

203.22

Reaxy-Rn

14465496

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14465496&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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: 203.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.075 Da
• Monoisotopic Mass: 203.075 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 192.000
• 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