2-Bromo-3-(trifluoromethyl)benzoic acid

Base Information

• Chemical Name: 2-Bromo-3-(trifluoromethyl)benzoic acid
• CAS No.: 177420-63-2
• Molecular Formula: C₈H₄BrF₃O₂
• Molecular Weight: 269.018
• Hs Code.: 2916310090
• European Community (EC) Number: 822-993-7
• DSSTox Substance ID: DTXSID10570628
• Nikkaji Number: J724.667F
• Wikidata: Q82458139
• Mol file: 177420-63-2.mol

Synonyms:2-Bromo-3-(trifluoromethyl)benzoic acid;177420-63-2;Benzoic acid, 2-bromo-3-(trifluoromethyl)-;MFCD08532493;SCHEMBL2479099;DTXSID10570628;CHA42063;2-Bromo-3-trifluoromethylbenzoicacid;AKOS016000237;2-Bromo-3-(trifluoromethyl)benzoicacid;AM62234;PS-7295;CS-0041279;A881466;2-bromo-3-(trifluoromethyl)benzoic acid, AldrichCPR

Chemical Property of 2-Bromo-3-(trifluoromethyl)benzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.16610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 267.93468
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-3-(trifluoromethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(F)(F)F)Br)C(=O)O
• Uses: 2-Bromo-3-(trifluoromethyl)benzoic acid is used as a intermediate for pharmaceutical and chemical research.

Technology Process of 2-Bromo-3-(trifluoromethyl)benzoic acid

There total 6 articles about 2-Bromo-3-(trifluoromethyl)benzoic acid 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: 90.0%

methyl 2-bromo-3-(trifluoromethyl)benzoate (1214362-28-3) → 2-bromo-3-(trifluoromethyl)benzoic acid (177420-63-2)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 5h;

Reference yield: 89.0%

1,2-dibromo-3-trifluoromethylbenzene (493038-92-9) + carbon dioxide (124-38-9,18923-20-1) → 2-bromo-3-(trifluoromethyl)benzoic acid (177420-63-2) + 2-bromo-6-(trifluoromethyl)benzoic acid (177420-64-3)

Guidance literature:

1,2-dibromo-3-trifluoromethylbenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -40 ℃; for 2h;

carbon dioxide; With hydrogenchloride; In tetrahydrofuran; for 1h; Further stages.;

DOI:10.1055/s-2006-947362

Reference yield: 48.0%

carbon dioxide (124-38-9,18923-20-1) + o-trifluoromethylphenyl bromide (392-83-6) → 2-bromo-3-(trifluoromethyl)benzoic acid (177420-63-2)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -100 ℃; for 2h;

DOI:10.1016/0040-4039(96)00415-7

upstream raw materials:

carbon dioxide

o-trifluoromethylphenyl bromide

1,2-dibromo-3-trifluoromethylbenzene

2-amino-3-(trifluoromethyl)benzoic acid

Downstream raw materials:

2-bromo-3-(trifluoromethyl)benzaldehyde

methyl 2-bromo-3-(trifluoromethyl)benzoate

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