5-Bromo-4-fluoro-2-iodotoluene

Base Information

• Chemical Name: 5-Bromo-4-fluoro-2-iodotoluene
• CAS No.: 861928-20-3
• Molecular Formula: C7H5BrFI
• Molecular Weight: 314.924
• DSSTox Substance ID: DTXSID20479678
• Nikkaji Number: J2.196.135C
• Wikidata: Q82313824
• Mol file: 861928-20-3.mol

Synonyms:5-Bromo-4-fluoro-2-iodotoluene;861928-20-3;1-Bromo-2-fluoro-4-iodo-5-methylbenzene;MFCD09800686;SCHEMBL12611014;DTXSID20479678;VHRSAHJSLCELMF-UHFFFAOYSA-N;AKOS005256385;FS-4214;SY110077;1-bromo-2-fluoro-4-iodo-5-methyl-benzene;CS-0148867;FT-0706813

Chemical Property of 5-Bromo-4-fluoro-2-iodotoluene

Chemical Property:

• Boiling Point: 258.4±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.125±0.06 g/cm3(Predicted)
• LogP: 3.50120
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 313.86034
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-2-fluoro-4-iodo-5-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1I)F)Br

Technology Process of 5-Bromo-4-fluoro-2-iodotoluene

There total 3 articles about 5-Bromo-4-fluoro-2-iodotoluene 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-bromo-5-fluoro-2-methylaniline (52723-82-7) → 1-bromo-2-fluoro-4-iodo-5-methylbenzene (861928-20-3)

Guidance literature:

4-bromo-5-fluoro-2-methylaniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

With potassium iodide; In water;

DOI:10.1016/j.tet.2005.04.051

Reference yield:

1-bromo-2-fluoro-5-methyl-4-nitrobenzene (948294-26-6) → 1-bromo-2-fluoro-4-iodo-5-methylbenzene (861928-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 15.5 g / SnCl₂; HCl

2.1: NaNO₂; HCl / H₂O / 0 - 5 °C

2.2: KI / H₂O

With hydrogenchloride; tin(ll) chloride; sodium nitrite; In water;

DOI:10.1016/j.tet.2005.04.051

Reference yield:

3-bromo-4-fluorotoluene (452-62-0) → 1-bromo-2-fluoro-4-iodo-5-methylbenzene (861928-20-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: HNO₃; H₂SO₄

2.1: 15.5 g / SnCl₂; HCl

3.1: NaNO₂; HCl / H₂O / 0 - 5 °C

3.2: KI / H₂O

With hydrogenchloride; sulfuric acid; nitric acid; tin(ll) chloride; sodium nitrite; In water;

DOI:10.1016/j.tet.2005.04.051

upstream raw materials:

4-bromo-5-fluoro-2-methylaniline

1-bromo-2-fluoro-5-methyl-4-nitrobenzene

3-bromo-4-fluorotoluene

Downstream raw materials:

4-dibromo-5-fluoro-2-methylbenzaldehyde

2-fluoro-4-formyl-N,5-dimethylbenzamide

methyl 2-fluoro-4-formyl-5-methyl benzoate