4-Bromo-3-iodoanisole

Base Information

• Chemical Name: 4-Bromo-3-iodoanisole
• CAS No.: 4897-68-1
• Molecular Formula: C7H6BrIO
• Molecular Weight: 312.933
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70475069
• Nikkaji Number: J60.206J
• Wikidata: Q82305325
• Mol file: 4897-68-1.mol

Synonyms:4-Bromo-3-iodoanisole;4897-68-1;1-bromo-2-iodo-4-methoxybenzene;1-bromo-2-iodo-4-methoxy-benzene;MFCD00070743;Benzene, 1-bromo-2-iodo-4-methoxy-;2-Iodo-4-methoxybromobenzene;SCHEMBL2803033;DTXSID70475069;IGPSHEKLLKFEOJ-UHFFFAOYSA-N;1-bromo-2-iodo-4-methoxy benzene;ZB1043;AKOS016008478;DS-4619;1-bromanyl-2-iodanyl-4-methoxy-benzene;CS-0031439;FT-0713905;A827636

Chemical Property of 4-Bromo-3-iodoanisole

Chemical Property:

• Melting Point: 124-126°C
• Boiling Point: 304.615 °C at 760 mmHg
• Flash Point: 138.026 °C
• PSA: 9.23000
• Density: 2.063 g/cm³
• LogP: 3.06230
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 311.86467
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-iodoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)Br)I

Technology Process of 4-Bromo-3-iodoanisole

There total 4 articles about 4-Bromo-3-iodoanisole 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: 100.0%

3-methoxy-1-iodobenzene (766-85-8) → 2-iodo-4-methoxybromobenzene (4897-68-1)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 24.0833h;

Reference yield: 86.0%

4-iodoanisol (529-28-2) → 2-iodo-4-methoxybromobenzene (4897-68-1)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

DOI:10.1002/anie.200800826

Reference yield: 82.0%

2-bromo-5-methoxyaniline (59557-92-5) → 2-iodo-4-methoxybromobenzene (4897-68-1)

Guidance literature:

With hydrogenchloride; potassium iodide; sodium nitrite; In water; at 0 - 70 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/adsc.201500317

upstream raw materials:

3-methoxy-1-iodobenzene

2-bromo-5-methoxyaniline

4-iodoanisol

4-bromo-3-nitroanizole

Downstream raw materials:

6-methoxybenzonorbornadiene

2-benzylsulfanyl-1-bromo-4-methoxy-benzene

4-bromo-3-[(4-methoxyphenyl)ethynyl]anisole

2-bromo-3',4'-methylenedioxy-5-methoxybiphenyl