2-Bromo-4-iodobenzoic acid

Base Information

• Chemical Name: 2-Bromo-4-iodobenzoic acid
• CAS No.: 28547-29-7
• Molecular Formula: C7H4BrIO2
• Molecular Weight: 326.916
• Hs Code.: 2916399090
• European Community (EC) Number: 805-053-0
• DSSTox Substance ID: DTXSID80606322
• Wikidata: Q72457483
• Mol file: 28547-29-7.mol

Synonyms:2-Bromo-4-iodobenzoic acid;28547-29-7;Benzoic acid, 2-bromo-4-iodo-;MFCD11520409;2-Bromo-4-iodobenzoicacid;4-iodo-2-bromobenzoic acid;2-bromo-4-iodo-benzoic acid;SCHEMBL14321445;DTXSID80606322;APGWJGNOWJHSLW-UHFFFAOYSA-N;AKOS015889370;AM61441;CS-W019733;AS-19420;SY034355;A819485

Chemical Property of 2-Bromo-4-iodobenzoic acid

Chemical Property:

• Boiling Point: 357.0±37.0 °C(Predicted)
• PKA: 2.67±0.10(Predicted)
• PSA: 37.30000
• Density: 2.331
• LogP: 2.75190
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 325.84394
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)Br)C(=O)O

Technology Process of 2-Bromo-4-iodobenzoic acid

There total 1 articles about 2-Bromo-4-iodobenzoic 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:

→ 4-iodo-2-bromobenzoic acid (28547-29-7)

Guidance literature:

2-Brom-4-iod-toluol u. KMnO4 in W.;

Reference yield: 98.8%

4-iodo-2-bromobenzoic acid (28547-29-7) + methyl iodide (74-88-4) → methyl 2-bromo-4-iodobenzoate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 92.0%

ethanol (64-17-5) + 4-iodo-2-bromobenzoic acid (28547-29-7) → ethyl 2-bromo-4-iodobenzoate (1261645-83-3)

Guidance literature:

With sulfuric acid; at 80 ℃; for 18h;

Downstream raw materials:

ethyl 2-bromo-4-iodobenzoate

Ethyl 2-bromo-4-vinylbenzoate

2-bromo-4-iodobenzamide