3-Bromo-2-iodophenol

Base Information

• Chemical Name: 3-Bromo-2-iodophenol
• CAS No.: 855836-52-1
• Molecular Formula: C6H4 Br I O
• Molecular Weight: 298.906
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID70457380
• Nikkaji Number: J2.223.302E
• Wikidata: Q72457579
• Mol file: 855836-52-1.mol

Synonyms:3-Bromo-2-iodophenol;855836-52-1;MFCD08166320;Bromjodphenol;2-Iodo-3-bromophenol;SCHEMBL2677547;DTXSID70457380;TD1055;AKOS016001207;MB05341;AC-28555;AM804419;DS-13746;SY124560;CS-0036114;FT-0713721

Chemical Property of 3-Bromo-2-iodophenol

Chemical Property:

• Vapor Pressure: 0.0201mmHg at 25°C
• Melting Point: 85℃
• Refractive Index: 1.699
• Boiling Point: 243.9°C at 760 mmHg
• PKA: 7.55±0.10(Predicted)
• Flash Point: 101.3°C
• PSA: 20.23000
• Density: 2.369g/cm³
• LogP: 2.75930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 297.84902
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

97% (isomers mixture) ^*data from raw suppliers

3-Bromo-2-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-2-iodophenol

There total 13 articles about 3-Bromo-2-iodophenol 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: 95.0%

3-bromo-2-iodophenyl acetate → 3-bromo-2-iodophenol (855836-52-1)

Guidance literature:

With caesium carbonate; In methanol; at 0 - 20 ℃; for 3h;

DOI:10.1002/anie.201304884

Reference yield: 89.0%

O-3-bromo-2-iodophenyl N,N-diethylcarbamate (863870-79-5) → 3-bromo-2-iodophenol (855836-52-1)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1021/jo0508402

Reference yield: 45.0%

Bromoform (75-25-2) + 2-iodo-cyclopent-2-enone (33948-35-5) → 3-bromo-2-iodophenol (855836-52-1)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/chem.202100939

upstream raw materials:

2-amino-3-bromophenol

O-3-bromo-2-iodophenyl N,N-diethylcarbamate

O-3-bromophenyl N,N-diethylcarbamate

3-Bromophenol

Downstream raw materials:

4-bromo-2-butylbenzo[b]furan

2-(3-bromo-2-iodophenoxy)-2-methylpropanamide

4-bromo-1H-indole

N-[3-bromo-2-(hex-1-yn-1-yl)phenyl]-2-hydroxy-2-methylpropanamide