4-(4-(Trifluoromethyl)phenoxy)aniline

Base Information

• Chemical Name: 4-(4-(Trifluoromethyl)phenoxy)aniline
• CAS No.: 57478-19-0
• Molecular Formula: C13H10F3NO
• Molecular Weight: 253.224
• Hs Code.: 2922290090
• European Community (EC) Number: 672-230-5
• DSSTox Substance ID: DTXSID10375337
• Nikkaji Number: J2.315.081F
• Wikidata: Q72512209
• Mol file: 57478-19-0.mol

Synonyms:4-(4-(Trifluoromethyl)phenoxy)aniline;57478-19-0;4-(4-Trifluoromethylphenoxy)aniline;4-[4-(trifluoromethyl)phenoxy]aniline;Benzenamine, 4-[4-(trifluoromethyl)phenoxy]-;4-(4'-trifluoromethylphenoxy)aniline;4-(4-trifluoromethyl-phenoxy)-phenylamine;SCHEMBL473537;DTXSID10375337;4-(4-Ttifluoromethylphenoxy)aniline;MFCD00170930;p-(4-trifluoromethylphenoxy)-aniline;4-(4-trifluoromethylphenoxy) aniline;AKOS009301207;AM83240;CS-W021992;MS-9196;SB81318;FT-0734591

Chemical Property of 4-(4-(Trifluoromethyl)phenoxy)aniline

Chemical Property:

• Vapor Pressure: 0.000226mmHg at 25°C
• Melting Point: 70-80℃
• Refractive Index: 1.545
• Boiling Point: 325.7 °C at 760 mmHg
• PKA: 4.41±0.10(Predicted)
• Flash Point: 150.8 °C
• PSA: 35.25000
• Density: 1.293 g/cm³
• LogP: 4.66110
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 253.07144843
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

99%, ^*data from raw suppliers

4-(4-(trifluoromethyl)phenoxy)aniline ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)N

Technology Process of 4-(4-(Trifluoromethyl)phenoxy)aniline

There total 8 articles about 4-(4-(Trifluoromethyl)phenoxy)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: 93.0%

1-nitro-4-(4-(trifluoromethyl)phenoxy)benzene (34859-78-4) → 4-(4-trifluoromethylphenoxy)-aniline (57478-19-0)

Guidance literature:

With triethylsilane; palladium 10% on activated carbon; In methanol; dichloromethane;

DOI:10.1021/jm400246e

Reference yield: 80.0%

4-amino-phenol (123-30-8) + 4-chlorobenzotrifluoride (98-56-6) → 4-(4-trifluoromethylphenoxy)-aniline (57478-19-0)

Guidance literature:

4-amino-phenol; With potassium hydroxide; In dimethyl sulfoxide; toluene; at 140 ℃; for 3h; Inert atmosphere;

4-chlorobenzotrifluoride; In dimethyl sulfoxide; at 100 - 120 ℃;

DOI:10.1016/j.jfluchem.2010.02.003

Reference yield: 53.0%

4-Fluorobenzotrifluoride (402-44-8) + 4-amino-phenol (123-30-8) → 4-(4-trifluoromethylphenoxy)-aniline (57478-19-0)

Guidance literature:

4-amino-phenol; With potassium carbonate; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

4-Fluorobenzotrifluoride; In N,N-dimethyl-formamide; at 0 - 60 ℃;

DOI:10.1021/acs.jmedchem.7b00059

upstream raw materials:

p-trifluoromethylphenyl bromide

1-nitro-4-(4-(trifluoromethyl)phenoxy)benzene

4-amino-phenol

4-chlorobenzotrifluoride

Downstream raw materials:

C₁₇H₁₂F₃NO₄

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