2-Bromo-5-fluorobenzotrifluoride

Base Information

• Chemical Name: 2-Bromo-5-fluorobenzotrifluoride
• CAS No.: 40161-55-5
• Molecular Formula: C7H3BrF4
• Molecular Weight: 242.998
• Hs Code.: 29039990
• European Community (EC) Number: 670-304-1
• DSSTox Substance ID: DTXSID20334516
• Nikkaji Number: J3.542.511J
• Wikidata: Q72455907
• Mol file: 40161-55-5.mol

Synonyms:2-Bromo-5-fluorobenzotrifluoride;40161-55-5;1-Bromo-4-fluoro-2-(trifluoromethyl)benzene;1-bromo-2-(trifluoromethyl)-4-fluorobenzene;MFCD00040937;BENZENE, 1-BROMO-4-FLUORO-2-(TRIFLUOROMETHYL)-;2-bromo-5-fluoro benzotrifluoride;4-fluoro-2-(trifluoromethyl)bromobenzene;2-Bromo-alpha,alpha,alpha,5-tetrafluorotoluene;SCHEMBL624437;DTXSID20334516;2-bromo-5-fluoro-benzotrifluoride;2-bromo-5-fluorobenzo trifluoride;BCP24572;AKOS005254951;AC-6881;CS-W012759;PB48079;PS-7547;2-Bromo-5-fluorobenzotrifluoride, 97%;BP-10501;SY013796;1-bromo-4-fluoro-2-trifluoromethylbenzene;bromo-4-fluoro-2-(trifluoromethyl)benzene;A6714;AM20060282;B2800;FT-0611484;J3.542.511J;1-Bromo-4-fluoro-2-(trifluoromethyl)benzene #;EN300-188684;P17589

Chemical Property of 2-Bromo-5-fluorobenzotrifluoride

Chemical Property:

• Vapor Pressure: 3.1mmHg at 25°C
• Refractive Index: n20/D 1.465(lit.)
• Boiling Point: 160.4 °C at 760 mmHg
• Flash Point: 65.4 °C
• PSA: 0.00000
• Density: 1.695 g/cm³
• LogP: 3.60700
• Storage Temp.: Refrigerator
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 241.93543
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-37-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(F)(F)F)Br

Technology Process of 2-Bromo-5-fluorobenzotrifluoride

There total 8 articles about 2-Bromo-5-fluorobenzotrifluoride 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: 96.7%

o-trifluoromethylphenyl bromide (392-83-6) → 1-bromo-4-fluoro-2-(trifluoromethyl)benzene (40161-55-5)

Guidance literature:

With potassium fluoride; potassium tetrafluorocobaltate; In dimethyl sulfoxide; for 5h; Reflux;

Reference yield: 93.09%

3-fluoro-trifluoromethylbenzene (401-80-9) → 1-bromo-4-fluoro-2-(trifluoromethyl)benzene (40161-55-5)

Guidance literature:

With ferric(III) bromide; sulfuric acid; tetrabutylammomium bromide; bromine; lithium bromide; at 20 - 25 ℃; for 8h; Temperature;

Reference yield: 86.8%

4-bromo-3-(trifluoromethyl)aniline (393-36-2) → 1-bromo-4-fluoro-2-(trifluoromethyl)benzene (40161-55-5)

Guidance literature:

4-bromo-3-(trifluoromethyl)aniline; With potassium fluoride; hydrogen fluoride; sodium nitrite; at -10 - 5 ℃; for 0.5h;

at 60 ℃;

upstream raw materials:

N-acetyl-3-trifluoromethylbenzenamine

N-(4-bromo-3-trifluoromethylphenyl)acetamide

4-bromo-3-(trifluoromethyl)aniline

3-trifluoromethylaniline

Downstream raw materials:

2-bromo-5-fluoro-1-nitro-3-trifluoromethyl-benzene

(3R)-1-(4-fluoro-2-(trifluoromethyl)phenyl)-3-methylpiperazine

tert-butyl 4-(4-fluoro-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate

2-[4-bromo-3-(trifluoromethyl)phenoxy]ethanol

Refernces

• 1、 -. "Synthesis method of 2-bromo-5-fluorobenzotrifluoride". Paragraph 0020; 0023. . Retrieved 2017/07/22.
• 2、 -. "Normal-temperature catalyzed synthesis of 2-bromo-5-fluorobenzotrifluoride". Paragraph 0028; 0029; 0030; 0031; 0032; 0033; 0034-0043. . Retrieved 2017/12/04.