3-(Trifluoromethyl)aniline hydrochloride

Base Information

• Chemical Name: 3-(Trifluoromethyl)aniline hydrochloride
• CAS No.: 2646-97-1
• Molecular Formula: C7H6 F3 N . Cl H
• Molecular Weight: 197.587
• Hs Code.: 2921420090
• European Community (EC) Number: 665-026-2
• NSC Number: 221148
• UNII: D8M2XGK72F
• DSSTox Substance ID: DTXSID00181060
• Mol file: 2646-97-1.mol

Synonyms:3-(trifluoromethyl)aniline hydrochloride;2646-97-1;Benzenamine, 3-(trifluoromethyl)-, hydrochloride;m-Aminotrifluorotoluene hydrochloride;m-Trifluoromethylaniline hydrochloride;NSC 221148;3-(trifluoromethyl)aniline;hydrochloride;Aniline, m-trifluoromethyl-, hydrochloride;m-Aminotrifluortoluol hydrochlorid [German];m-Aminotrifluortoluol hydrochlorid;NSC-221148;m-Toluidine, alpha,alpha,alpha-trifluoro-, hydrochloride;m-(Trifluoromethyl)aniline hydrochloride;Benzenamine, 3-(trifluoromethyl)-, hydrochloride (9CI);3-(Trifluoromethyl)anilinehydrochloride;C7H6F3N.ClH;D8M2XGK72F;SCHEMBL2790297;C(F)(F)(F)c1cccc(N)c1;Benzenamine, 3-(trifluoromethyl)-, hydrochloride (1:1);DTXSID00181060;CAA64697;3-Aminobenzotrifluoride hydrochloride;MFCD00035492;NSC221148;3-Trifluoromethylaniline hydrochloride;3-trifluoromethyl-aniline hydrochloride;AKOS016005977;BS-49723;3-(trifluoromethyl)benzenamine hydrochloride;LS-154420;3-(trifluoromethyl)benzeneamine hydrochloride;CS-0186725;E76106;ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE HYDROCHLORIDE

Chemical Property of 3-(Trifluoromethyl)aniline hydrochloride

Chemical Property:

• Vapor Pressure: 0.644mmHg at 25°C
• Boiling Point: 187°Cat760mmHg
• Flash Point: 85°C
• PSA: 26.02000
• Density: g/cm³
• LogP: 3.67080
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.0219114
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99.5% ^*data from raw suppliers

ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE HYDROCHLORIDE Aldrich ^*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(F)(F)F.Cl

Technology Process of 3-(Trifluoromethyl)aniline hydrochloride

There total 1 articles about 3-(Trifluoromethyl)aniline hydrochloride 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:

α,α,α-trifluorotoluene (98-08-8) → 3-(trifluoromethyl)-aniline hydrochloride (2646-97-1) + 4-aminobenzotrifluoride hydrochloride (90774-69-9)

Guidance literature:

α,α,α-trifluorotoluene; With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; N-(trifluoromethylsulfonyloxy)pyridinium trifluoromethanesulfonate; In acetonitrile; for 1.5h; Sealed tube; Inert atmosphere; Irradiation;

With piperidine; In acetonitrile; at 20 ℃; for 14h; Sealed tube; Inert atmosphere;

With hydrogenchloride; In diethyl ether; Overall yield = 40 mg;

DOI:10.1002/anie.201810261

Reference yield: 92.0%

2,5-bis(p-fluorophenyl)-1,3,4-oxadiazole (324-81-2) + 3-(trifluoromethyl)-aniline hydrochloride (2646-97-1) → 3,5-bis(4-fluorophenyl)-4-(3-(trifluoromethyl)phenyl)-1,2,4-triazole (146898-62-6)

Guidance literature:

In N-cyclohexyl-2-pyrrolidinone; at 150 - 200 ℃; for 10h; Inert atmosphere;

DOI:10.1002/pola.24824

Reference yield: 79.0%

acetamide (60-35-5) + 3-(trifluoromethyl)-aniline hydrochloride (2646-97-1) → N-acetyl-3-trifluoromethylbenzenamine (351-36-0)

Guidance literature:

In toluene; at 120 ℃; for 3h; Green chemistry;

DOI:10.1002/ejoc.202101114

upstream raw materials:

α,α,α-trifluorotoluene

Downstream raw materials:

6-Benzyl-2,5-dimethyl-3-(3-trifluoromethyl-phenyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

4-(N-(3-trifluoromethylphenyl)amino)-5,6 dimethyl-7H-pyrrolo[2.3-d]pyrimidine

3,5-bis(4-fluorophenyl)-4-(3-(trifluoromethyl)phenyl)-1,2,4-triazole

6-benzyl-10-trifluoromethylquino[3,2-b]benzothiazine

Refernces