2-BROMO-4-METHYLBENZOTRIFLUORIDE

Base Information

• Chemical Name: 2-BROMO-4-METHYLBENZOTRIFLUORIDE
• CAS No.: 121793-12-2
• Molecular Formula: C₈H₆BrF₃
• Molecular Weight: 239.035
• Hs Code.: 2903999090
• Mol file: 121793-12-2.mol

Synonyms:2-BROMO-4-METHYLBENZOTRIFLUORIDE;2-broMo-4-Methyl-1-(trifluoroMethyl)benzene;Benzene, 2-broMo-4-Methyl-1-(trifluoroMethyl)-

Chemical Property of 2-BROMO-4-METHYLBENZOTRIFLUORIDE

Chemical Property:

• Boiling Point: 193.7±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.538±0.06 g/cm3(Predicted)
• LogP: 3.77630

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-4-methylbenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-BROMO-4-METHYLBENZOTRIFLUORIDE

There total 3 articles about 2-BROMO-4-METHYLBENZOTRIFLUORIDE 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: 79.0%

2-bromo-4-methylbenzoic acid (7697-27-0) → 2-bromo-4-methyl-1-(trifluoromethyl)benzene (121793-12-2)

Guidance literature:

With sulfur tetrafluoride; In hydrogen fluoride; at 70 ℃; for 20h;

DOI:10.1016/S0022-1139(00)81635-8

Reference yield:

2-bromo-p-toluidine (583-68-6) → 2-bromo-4-methyl-1-(trifluoromethyl)benzene (121793-12-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaNO₂, HCl; 2.) copper cyanide / 1.) H₂O, 0-5 degC, 2h; 2.) water, toluene, 0-5 degC 30 min, then r.t., 2h

2: 81 percent / KOH / ethanol; H₂O / 8 h / Heating

3: 79 percent / sulfur tetrafluoride / liquid HF / 20 h / 70 °C

With hydrogenchloride; potassium hydroxide; sulfur tetrafluoride; copper(l) cyanide; sodium nitrite; In ethanol; hydrogen fluoride; water;

DOI:10.1016/S0022-1139(00)81635-8

Reference yield:

4-methyl-2-bromobenzonitrile (42872-73-1) → 2-bromo-4-methyl-1-(trifluoromethyl)benzene (121793-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / KOH / ethanol; H₂O / 8 h / Heating

2: 79 percent / sulfur tetrafluoride / liquid HF / 20 h / 70 °C

With potassium hydroxide; sulfur tetrafluoride; In ethanol; hydrogen fluoride; water;

DOI:10.1016/S0022-1139(00)81635-8

upstream raw materials:

2-bromo-4-methylbenzoic acid

2-bromo-p-toluidine

4-methyl-2-bromobenzonitrile

Refernces