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

Base Information

• Chemical Name: 2-Bromo-4-nitro-6-(trifluoromethyl)aniline
• CAS No.: 400-66-8
• Molecular Formula: C7H4BrF3N2O2
• Molecular Weight: 285.02
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID40467012
• Mol file: 400-66-8.mol

Synonyms:2-bromo-4-nitro-6-(trifluoromethyl)aniline;400-66-8;2-Amino-3-bromo-5-nitrobenzotrifluoride;2-Amino-3-bromo-5-nitrobenzotrifluoride 95+%;SCHEMBL2436697;DTXSID40467012;MFCD14560537;AKOS005073761;ND-0047;SB82243;CS-0060173;FT-0681723;2-bromo-4-nitro-6-trifluormethyl-phenylamine;2-Bromo-4-nitro-6-trifluoromethyl-phenylamine;2-bromo-4-nitro-6-(trifluoromethyl)benzenamine;A856652

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

Chemical Property:

• Melting Point: 140-142 °C
• Boiling Point: 306.8±37.0 °C(Predicted)
• PKA: -4.03±0.46(Predicted)
• PSA: 71.84000
• Density: 1.859±0.06 g/cm3(Predicted)
• LogP: 4.06270
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 283.94082
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 2-Bromo-4-nitro-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: 99.2%

4-nitro-2-trifluoromethyl-aniline (121-01-7) → 2-bromo-4-nitro-6-trifluoromethylaniline (400-66-8)

Guidance literature:

4-nitro-2-trifluoromethyl-aniline; With hydrogen bromide; at 20 - 70 ℃; for 0.166667h;

With dihydrogen peroxide; In water; at 60 - 70 ℃; for 3h;

DOI:10.3184/174751913X13619014318618

Reference yield: 56.0%

2-bromo-4-nitro-6-trifluoromethylaniline (400-66-8) + acetic anhydride (108-24-7) → 2-Bromo-4-nitro-6-(trifluoromethyl)acetanilide (85977-20-4)

Guidance literature:

With zinc(II) chloride; In benzene; for 32h; Heating;

DOI:10.1021/jo00162a005

Reference yield: 33.0%

2-bromo-4-nitro-6-trifluoromethylaniline (400-66-8) + 3-cyclohexylpropionyl chloride (39098-75-4) → N-(2-bromo-4-nitro-6-trifluoromethyl-phenyl)-3-cyclohexyl-propionamide (879644-51-6)

Guidance literature:

In acetonitrile; at 150 ℃; for 0.166667h; Microwave irradiation;

upstream raw materials:

4-nitro-2-trifluoromethyl-aniline

Downstream raw materials:

(2-Bromo-4-nitro-6-trifluoromethyl-phenyl)-(2,4-dinitro-naphthalen-1-yl)-amine

2-Bromo-4-nitro-6-(trifluoromethyl)acetanilide

1-Bromo-2-iodo-3-(trifluoromethyl)benzene

2-bromo-6-trifluoromethylphenylamine

Refernces

• 1、 -. "SUBSTITUTED ANILINE DERIVATIVES". Page/Page column 58. . Retrieved 2008/06/13.
• 2、 Grunewald, Gary L.,Paradkar, Vidyadhar M.,Pazhenchevsky, Bharak,Pleiss, Michael A.,Sall, Daniel J.,et al.. "Synthesis of Conformationally Defined Analogues of Norfenfluramine. A Highly Stereospecific Synthesis of Amines from Alcohols in the Benzobicycloheptene System". . p. 2321 - 2327. Retrieved 2007/10/02.