2-Bromo-1-nitro-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 2-Bromo-1-nitro-4-(trifluoromethyl)benzene
• CAS No.: 132839-58-8
• Molecular Formula: C7H3BrF3NO2
• Molecular Weight: 270.006
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID20564058
• Wikidata: Q72448566
• Mol file: 132839-58-8.mol

Synonyms:2-BROMO-1-NITRO-4-(TRIFLUOROMETHYL)BENZENE;132839-58-8;3-Bromo-4-nitrobenzotrifluoride;2-Bromo-4-(trifluoromethyl)nitrobenzene;Benzene, 2-bromo-1-nitro-4-(trifluoromethyl)-;MFCD09998160;2-bromo-1-nitro-4-trifluoromethyl-benzene;SCHEMBL6141188;DTXSID20564058;CL8976;AKOS005146496;DS-18340;SY106984;2-BROMO-4-TRIFLUOROMETHYLNITROBENZENE;J-006229

Chemical Property of 2-Bromo-1-nitro-4-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 224.8 °C at 760 mmHg
• Flash Point: 89.7 °C
• PSA: 45.82000
• Density: 1.788 g/cm³
• LogP: 3.89930
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 268.92993
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

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

2-Bromo-1-nitro-4-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)[N+](=O)[O-]

Technology Process of 2-Bromo-1-nitro-4-(trifluoromethyl)benzene

There total 2 articles about 2-Bromo-1-nitro-4-(trifluoromethyl)benzene 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: 60.0%

4-amino-3-bromobenzotrifluoride (57946-63-1) → 2-bromo-1-nitro- 4-(trifluoromethyl)benzene (132839-58-8)

Guidance literature:

With sodium perborate tetrahydrate; acetic acid; at 55 ℃; for 7h;

DOI:10.1246/cl.171052

Reference yield:

2-nitro-5-(trifluoromethyl)aniline (402-14-2) → 2-bromo-1-nitro- 4-(trifluoromethyl)benzene (132839-58-8)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; Yield given. Multistep reaction; 1.) -10 deg C, 2.) from RT to 100 deg C, 1 h;

DOI:10.1016/0022-328X(91)83061-8

Reference yield: 66.0%

(2-methoxypyridin-4-yl)boronic acid (762262-09-9) + 2-bromo-1-nitro- 4-(trifluoromethyl)benzene (132839-58-8) → N-(2-bromo-4-(trifluoromethyl)phenyl)-2-methoxypyridin-4-amine

Guidance literature:

With 1,2,2,3,4,4-hexamethylphosphetane 1-oxide; phenylsilane; In m-xylene; at 120 ℃; for 3h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.8b10769

upstream raw materials:

2-nitro-5-(trifluoromethyl)aniline

4-amino-3-bromobenzotrifluoride

Downstream raw materials:

methyl 5-{[(tert-butoxycarbonyl)amino]methyl}-2-{[2-nitro-5-(trifluoromethyl)phenyl]amino}benzoate

2-nitro-5-triflouromethylboronic acid pinacolate ester

2-phenyl-5-(trifluoromethyl)-1H-indole

3-(trifluoromethyl)-9H-carbazole

Refernces

• 1、 Brune, Hans-Albert,Hohenadel, Robert,Schmidtberg, Guenther,Ziegler, Ulrich. "Synthesen substituierter 9,9-Bis(n-butyl)dibenzostannole". . p. 171 - 178. Retrieved 2007/10/02.