6-Bromo-2,3,4-trifluorobenzoic acid

Base Information

• Chemical Name: 6-Bromo-2,3,4-trifluorobenzoic acid
• CAS No.: 530145-53-0
• Molecular Formula: C₇H₂BrF₃O₂
• Molecular Weight: 254.991
• Hs Code.: 2916399090
• European Community (EC) Number: 850-619-2
• Nikkaji Number: J1.878.296K
• Mol file: 530145-53-0.mol

Synonyms:6-BROMO-2,3,4-TRIFLUOROBENZOIC ACID;530145-53-0;6-Bromo-2,3,4-trifluorobenzoicacid;Benzoic acid, 6-bromo-2,3,4-trifluoro-;SCHEMBL2425420;QCQROIXPDIHMBR-UHFFFAOYSA-N;AR3086;MFCD09910412;2,3,4-trifluoro-6-bromobenzoic acid;AS-45522;CS-0173128;EN300-249128;6-Bromo-2,3,4-trifluorobenzoic acid, AldrichCPR;A923392;Z1269145530

Chemical Property of 6-Bromo-2,3,4-trifluorobenzoic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 253.91903
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-2,3,4-trifluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Br)C(=O)O)F)F)F

Technology Process of 6-Bromo-2,3,4-trifluorobenzoic acid

There total 8 articles about 6-Bromo-2,3,4-trifluorobenzoic 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: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 1,5-dibromo-2,3,4-trifluorobenzene (17299-95-5) → 6-bromo-2,3,4-trifluoro-benzoic acid (530145-53-0)

Guidance literature:

1,5-dibromo-2,3,4-trifluorobenzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

carbon dioxide; With n-butyllithium; In diethyl ether; hexane; at -100 ℃; for 0.25h;

DOI:10.1002/ejoc.200390078

Reference yield: 78.0%

carbon dioxide (124-38-9,18923-20-1) + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 6-bromo-2,3,4-trifluoro-benzoic acid (530145-53-0)

Guidance literature:

3,4,5-trifluoro-1-bromobenzene; With n-butyllithium; diisopropylamine; In 2-methyltetrahydrofuran; hexane; at -78 ℃; for 1.75h;

carbon dioxide; In 2-methyltetrahydrofuran; hexane; at -78 - 20 ℃; for 0.25h;

Reference yield:

6-bromo-2,3,4-trifluorobenzaldehyde (372519-10-3) → 6-bromo-2,3,4-trifluoro-benzoic acid (530145-53-0)

Guidance literature:

With sodium hypochlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In tetrahydrofuran; tert-butyl alcohol; at 20 ℃; for 0.5h;

upstream raw materials:

carbon dioxide

1,5-dibromo-2,3,4-trifluorobenzene

1,2,3-trifluorobenzene

1-bromo-2,3,4-trifluorobenzene