4-Octadecylaniline

Base Information

• Chemical Name: 4-Octadecylaniline
• CAS No.: 114235-67-5
• Molecular Formula: C24H43 N
• Molecular Weight: 345.612
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID10393672
• Wikidata: Q82192523
• Mol file: 114235-67-5.mol

Synonyms:4-Octadecylaniline;114235-67-5;4-n-octadecylaniline;4-OCTADECYLANILINE 97;Benzenamine, 4-octadecyl-;SudanIII;p-octadecyl-aniline;4-octa-decylaniline;4-Octadecylaniline, 97%;4-OCTADECYLANILINE97;SCHEMBL1265414;DTXSID10393672;CCRTYBGROAGVGK-UHFFFAOYSA-N;A803158;J-003066

Chemical Property of 4-Octadecylaniline

Chemical Property:

• Vapor Pressure: 9.95E-09mmHg at 25°C
• Melting Point: 59-63 °C(lit.)
• Refractive Index: 1.499
• Boiling Point: 240-245 °C0.4 mm Hg(lit.)
• PKA: 4.95±0.10(Predicted)
• Flash Point: 196.4°C
• PSA: 26.02000
• Density: 0.889g/cm³
• LogP: 8.65400
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 345.339550376
• Heavy Atom Count: 25
• Complexity: 255

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Octadecylaniline 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)N
• Uses: 4-Octadecylaniline was used in the fabrication of alternate-layer Langmuir-Blodgett (LB) films and pyroelectric activity in the films was assesd.

Technology Process of 4-Octadecylaniline

There total 10 articles about 4-Octadecylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-octadecanol (112-92-5) + aniline (62-53-3) → 4-n-octadecylaniline (114235-67-5)

Guidance literature:

1-octadecanol; aniline; With aniline hydrochloride; zinc(II) chloride; at 240 - 250 ℃; for 1h;

With sodium hydroxide; at 70 ℃; for 2h;

DOI:10.1007/s11743-010-1206-7

Reference yield:

1-(4-chloro-phenyl)-octadecan-1-one (197160-74-0) → 4-n-octadecylaniline (114235-67-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CuCl; aqueous NH₃ / 250 - 270 °C

2: amalgamated zinc; aqueous HCl

With hydrogenchloride; ammonium hydroxide; amalgamated zinc; copper(l) chloride;

Reference yield:

Stearoyl chloride (112-76-5) → 4-n-octadecylaniline (114235-67-5)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃

2: CuCl; aqueous NH₃ / 250 - 270 °C

3: amalgamated zinc; aqueous HCl

With hydrogenchloride; ammonium hydroxide; aluminium trichloride; amalgamated zinc; copper(l) chloride;

upstream raw materials:

1-(4-amino-phenyl)-octadecan-1-one

p-nitrooctadecylbenzene

1-octadecanol

aniline

Downstream raw materials:

C₆₈H₉₃N₅O₆

C₃₀H₄₆N₂O

4-octadecylphenol

C₃₄H₅₀NO₄^(1-)*K⁽¹⁺⁾

Refernces

• 1、 Abdel-Salam, Fatma H.. "Synthesis, biological study and complexation behavior of some anionic schiff base amphiphiles". experimental part. p. 423 - 431. Retrieved 2011/12/15.