2-bromo-5-(trifluoromethoxy)benzoic Acid

Base Information

• Chemical Name: 2-bromo-5-(trifluoromethoxy)benzoic Acid
• CAS No.: 403646-48-0
• Molecular Formula: C₈H₄BrF₃O₃
• Molecular Weight: 285.017
• Hs Code.: 2918990090
• European Community (EC) Number: 630-060-9
• DSSTox Substance ID: DTXSID40382574
• Wikidata: Q82173933
• Mol file: 403646-48-0.mol

Synonyms:2-bromo-5-(trifluoromethoxy)benzoic Acid;403646-48-0;MFCD07368726;6-bromo-3-(trifluoromethoxy)benzoic acid;Methyl 5-bromo-2-(trifluoromethoxy)benzoate;5-Bromo-2-(trifluoromethoxy)benzoic acid methyl ester;6-bromo-3trifluoromethoxybenzoic acid;SCHEMBL17143019;DTXSID40382574;QIUVPBVZKOVBSY-UHFFFAOYSA-N;AKOS022171641;6-Bromo-3-trifluoromethoxybenzoic acid;PS-7196;2-Bromo-5-(trifluoromethoxy)benzoicacid;CS-0157041;A825072

Chemical Property of 2-bromo-5-(trifluoromethoxy)benzoic Acid

Chemical Property:

• Vapor Pressure: 0.000992mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 289.8°Cat760mmHg
• Flash Point: 129.1°C
• PSA: 46.53000
• Density: 1.797g/cm³
• LogP: 3.04590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 283.92959
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-5-(trifluoromethoxy)benzoic acid 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)Br

Technology Process of 2-bromo-5-(trifluoromethoxy)benzoic Acid

There total 5 articles about 2-bromo-5-(trifluoromethoxy)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: 84.0%

2-amino-5-(trifluoromethoxy)benzoic acid (83265-56-9) → 2-bromo-5-(trifluoromethoxy)benzoic acid (403646-48-0)

Guidance literature:

With hydrogen bromide; copper(ll) bromide; sodium nitrite; In water; at 75 ℃; for 0.25h;

DOI:10.1002/1099-0690(200111)2001:21<3991::AID-EJOC3991>3.0.CO;2-J

Reference yield:

4-(trifluoromethoxy)aniline (461-82-5) → 2-bromo-5-(trifluoromethoxy)benzoic acid (403646-48-0)

Guidance literature:

Multi-step reaction with 4 steps

1: sec-butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C

2: trifluoroacetic acid / CH₂Cl₂ / 2 h / 25 °C

3: 84 percent / hydrobromic acid; sodium nitrite; cupric bromide / H₂O / 0.25 h / 75 °C

With hydrogen bromide; sec.-butyllithium; trifluoroacetic acid; copper(ll) bromide; sodium nitrite; In tetrahydrofuran; hexane; dichloromethane; water;

DOI:10.1002/1099-0690(200111)2001:21<3991::AID-EJOC3991>3.0.CO;2-J

Reference yield:

tert-butyl N-(4-trifluoromethoxyphenyl)carbamate (212696-37-2) → 2-bromo-5-(trifluoromethoxy)benzoic acid (403646-48-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sec-butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C

2: trifluoroacetic acid / CH₂Cl₂ / 2 h / 25 °C

3: 84 percent / hydrobromic acid; sodium nitrite; cupric bromide / H₂O / 0.25 h / 75 °C

With hydrogen bromide; sec.-butyllithium; trifluoroacetic acid; copper(ll) bromide; sodium nitrite; In tetrahydrofuran; hexane; dichloromethane; water;

DOI:10.1002/1099-0690(200111)2001:21<3991::AID-EJOC3991>3.0.CO;2-J

upstream raw materials:

carbon dioxide

1-bromo-4-(trifluoromethoxy)benzene

2-amino-5-(trifluoromethoxy)benzoic acid

4-(trifluoromethoxy)aniline

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