4-n-Octylaniline - ≥97% , CAS No.16245-79-7

CAS: 16245-79-7 Cat. No.: N159443 Summenformel: C₁₄H₂₃N Molekulargewicht: 205.35 Beilstein Registry Number: 121185 EG-Nummer: 240-358-7

GRADE & PURITY ≥97%

Synonyms

F0001-0584 | 5(4H)-Oxazolone, 4-[(2-bromophenyl)methylene]-2-methyl- | SB78179 | AKOS015839936 | H-D-Asn-OH.H2O | SCHEMBL111952 | SY052531 | 5,24-Cholestadien-3beta-ol | O9FN212WZZ | p-Octylaniline | 4-Octylaniline | 4-Octylphenylamine | 4-(n-octyl)anilin

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Micrometer-sized oil droplet of 4-octylaniline containing 5 mol% of an amphiphilic catalyst exhibits a self-propelled motion, producing tiny oil droplets. Kinetics of proton transfer facilitated by 4-octylaniline across the water/1,2-dichloroethane interface has been investigated by cyclic voltammetry and ac impedance.
4-Octylaniline has been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It has also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.

Specifications

Synonyme

F0001-0584 | 5(4H)-Oxazolone, 4-[(2-bromophenyl)methylene]-2-methyl- | SB78179 | AKOS015839936 | H-D-Asn-OH.H2O | SCHEMBL111952 | SY052531 | 5,24-Cholestadien-3beta-ol | O9FN212WZZ | p-Octylaniline | 4-Octylaniline | 4-Octylphenylamine | 4-(n-octyl)anilin

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488186315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186315
• Kanonisches Lächeln: CCCCCCCCC1=CC=C(C=C1)N
• IUPAC Name: 4-octylaniline
• InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
• INCHI: 1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
• Isomere SMILES: CCCCCCCCC1=CC=C(C=C1)N
• WGK Deutschland: 3
• Molekulargewicht: 205.35
• Beilstein: 121185
• Reaxy-Rn: 2936963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936963&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: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen 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: 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

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.52
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 311°C(lit.)
• Schmelzpunkt (°C): 17 °C
• Molekulargewicht: 205.340 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 205.183 Da
• Monoisotopic Mass: 205.183 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 136.000
• 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

Referenzen

1. Yi Hao, Yuan Gao, Luyao Gao, Yulian He, Yingying Niu, Sameer Hussain, Ruixia Gao, Lisa D. Pfefferle, M. Shahid, Sicen Wang.  (2021)  Amphiphilic core–shell magnetic adsorbents for efficient removal and detection of phthalate esters.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.129817]

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16245-79-7, the molecular formula is C14H23N, and the molecular weight is 205.35 g/mol. InChIKey ORKQJTBYQZITLA-UHFFFAOYSA-N.