2-Bromo-4-chloro-6-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Bromo-4-chloro-6-(trifluoromethyl)aniline
• CAS No.: 912617-74-4
• Molecular Formula: C₇H₄BrClF₃N
• Molecular Weight: 274.468
• Hs Code.: 2921420090
• European Community (EC) Number: 693-900-3
• DSSTox Substance ID: DTXSID80584853
• Wikidata: Q82476593
• Mol file: 912617-74-4.mol

Synonyms:2-Bromo-4-chloro-6-(trifluoromethyl)aniline;912617-74-4;2-Amino-3-bromo-5-chlorobenzotrifluoride;2-bromo-4-chloro-6-trifluoromethylaniline;MFCD08436083;SCHEMBL10215752;DTXSID80584853;BSWOSDJUIAUNLF-UHFFFAOYSA-N;AKOS015835101;BS-29683;SY104135;CS-0188471;E85361;EN300-396621;A843777;2-Bromo-4-chloro-6-(trifluoromethyl)aniline, 97%

Chemical Property of 2-Bromo-4-chloro-6-(trifluoromethyl)aniline

Chemical Property:

• Melting Point: 30-34°C
• Flash Point: 108℃
• PSA: 26.02000
• LogP: 4.28470
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 272.91677
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

≥99.0% ^*data from raw suppliers

2-Bromo-4-chloro-6-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)Br)Cl

Technology Process of 2-Bromo-4-chloro-6-(trifluoromethyl)aniline

There total 1 articles about 2-Bromo-4-chloro-6-(trifluoromethyl)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: 86.0%

4-chloro-2-(trifluoromethyl)aniline (445-03-4) → 2-bromo-4-chloro-6-(trifluoromethyl)aniline (912617-74-4)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃;

Reference yield:

2-bromo-4-chloro-6-(trifluoromethyl)aniline (912617-74-4) → 2-amino-5-chloro-3-(trifluoromethyl)phenol (159664-79-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 12 h / 110 °C / Sealed tube; Inert atmosphere

2: sodium perborate monohydrate / tetrahydrofuran; water / 4 h / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium perborate monohydrate; potassium acetate; In tetrahydrofuran; 1,4-dioxane; water;

Reference yield:

2-bromo-4-chloro-6-(trifluoromethyl)aniline (912617-74-4) → 4-chloro-2-methoxy-6-(trifluoromethyl)aniline

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 12 h / 110 °C / Sealed tube; Inert atmosphere

2.1: sodium perborate monohydrate / tetrahydrofuran; water / 4 h / 20 °C

3.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 20 °C

3.2: 2 h / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium perborate monohydrate; potassium acetate; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; water; N,N-dimethyl-formamide;

upstream raw materials:

4-chloro-2-(trifluoromethyl)aniline

Downstream raw materials:

2-amino-5-chloro-3-(trifluoromethyl)phenol

Refernces

• 1、 -. "ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS". Paragraph 0212. . Retrieved 2020/08/22.