2-Bromo-5-iodobenzoic acid

Base Information

• Chemical Name: 2-Bromo-5-iodobenzoic acid
• CAS No.: 25252-00-0
• Molecular Formula: C7H4BrIO2
• Molecular Weight: 326.916
• Hs Code.: 29163990
• European Community (EC) Number: 627-996-5
• DSSTox Substance ID: DTXSID50370806
• Nikkaji Number: J2.576.701B
• Wikidata: Q72457477
• Mol file: 25252-00-0.mol

Synonyms:2-Bromo-5-iodobenzoic acid;25252-00-0;2-bromo-5-iodo-benzoic Acid;Benzoic acid, 2-bromo-5-iodo-;MFCD00079716;SCHEMBL203554;DTXSID50370806;QPKKBDSNZFSSOD-UHFFFAOYSA-N;2-Bromo-5-iodobenzoic acid, 97%;BCP27785;CS-D1730;STK031351;TD1018;AKOS000109283;AM83026;PS-7027;NCGC00332646-01;AC-28675;SY013658;A5113;BB 0245937;FT-0611488;EN300-128488;AB01325744-02;J-015893;(E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanoneo-(2-aminoethyl)oxime

Chemical Property of 2-Bromo-5-iodobenzoic acid

Chemical Property:

• Melting Point: 171-175 °C
• Boiling Point: 371.2 °C at 760 mmHg
• PKA: 2.50±0.10(Predicted)
• Flash Point: 178.3 °C
• PSA: 37.30000
• Density: 2.331 g/cm³
• LogP: 2.75190
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
• 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:

99% ^*data from raw suppliers

2-Bromo-5-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-5-iodobenzoic acid

There total 3 articles about 2-Bromo-5-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: 73.5%

2-bromobenzoic-acid (88-65-3) → 2-bromo-5-iodobenzoic acid (25252-00-0)

Guidance literature:

With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; sulfuric acid; In dichloromethane; at 15 - 20 ℃; for 2h;

Reference yield: 63.0%

carbon dioxide (124-38-9,18923-20-1) + 1,4-bromoiodobenzene (589-87-7) → 2-bromo-5-iodobenzoic acid (25252-00-0)

Guidance literature:

1,4-bromoiodobenzene; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; at -80 ℃; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at -75 - -20 ℃;

With sulfuric acid; In tetrahydrofuran; water;

DOI:10.1002/ejoc.200701126

Reference yield:

→ 2-bromo-5-iodobenzoic acid (25252-00-0)

Guidance literature:

upstream raw materials:

carbon dioxide

1,4-bromoiodobenzene

2-bromobenzoic-acid

Downstream raw materials:

2-bromo-5-iodobenzoyl chloride

2-bromo-5-(2-bromoacetyl)benzoic acid methyl ester

(S)-pyrrolidine-1,2-dicarboxylic acid 2-(2-(4-bromo-3-methoxycarbonylphenyl)-2-oxoethyl) ester 1-tert-butyl ester

(2-bromo-5-iodo-phenyl)-(4-ethyl-phenyl)-methanone