3-(Heptadecafluorooctyl)aniline

Base Information

• Chemical Name: 3-(Heptadecafluorooctyl)aniline
• CAS No.: 119489-67-7
• Molecular Formula: C14H6 F17 N
• Molecular Weight: 511.181
• DSSTox Substance ID: DTXSID30401167
• Mol file: 119489-67-7.mol

Synonyms:3-(Heptadecafluorooctyl)aniline;119489-67-7;3-(Perfluorooctyl)aniline;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline;SCHEMBL2263254;3-(perfluoro-n-octyl)benzenamine;DTXSID30401167;3-(Heptadecafluorooctyl)aniline, >=95.0%;J-004140

Chemical Property of 3-(Heptadecafluorooctyl)aniline

Chemical Property:

• Vapor Pressure: 0.00659mmHg at 25°C
• Melting Point: 33-38 °C
• Refractive Index: 1.359
• Boiling Point: 271.1°C at 760 mmHg
• Flash Point: 120.5°C
• PSA: 26.02000
• Density: 1.61g/cm³
• LogP: 7.31590
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 7
• Exact Mass: 511.0228780
• Heavy Atom Count: 32
• Complexity: 679

Purity/Quality:

97% ^*data from raw suppliers

3-(Heptadecafluorooctyl)aniline ≥95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 3-(Heptadecafluorooctyl)aniline

There total 1 articles about 3-(Heptadecafluorooctyl)aniline 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: 78.3%

1-iodoheptadecafluorooctane (507-63-1) + 3-Iodoaniline (626-01-7) → 3-(n-perfluorooctyl)aniline (119489-67-7)

Guidance literature:

With copper; In dimethyl sulfoxide; at 125 ℃; for 12.083h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c3nj00807j

Reference yield: 82.7%

thiophosgene (463-71-8) + 3-(n-perfluorooctyl)aniline (119489-67-7) → isothiocyanato-3-(n-perfluorooctyl)benzene (120606-37-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 12.16h; Inert atmosphere;

DOI:10.1039/c3nj00807j

Reference yield:

3-(n-perfluorooctyl)aniline (119489-67-7) → 1-Bromo-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene (325459-90-3)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at -5 - 20 ℃;

upstream raw materials:

1-iodoheptadecafluorooctane

3-Iodoaniline

Downstream raw materials:

isothiocyanato-3-(n-perfluorooctyl)benzene

1-Bromo-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene

(C₆H₄(C₈F₁₇))3P

N-allyl-3-perfluorooctylbenzenamine

Refernces

• 1、 -. "Materials for inducing alignment in liquid crystal and liquid crystal displays". . . Retrieved 2008/06/13.
• 2、 Tamura, Masanori,Sekiya, Akira. "LANGMUIR-BLODGETT FILMS OF POLYALLYLAMINE MODIFIED WITH (PERFLUOROALKYL)PHENYL GROUPS". . p. 231 - 234. Retrieved 2007/10/02.