4-(Bromomethyl)-1-fluoro-2-iodobenzene

Base Information

• Chemical Name: 4-(Bromomethyl)-1-fluoro-2-iodobenzene
• CAS No.: 260050-97-3
• Molecular Formula: C7H5 Br F I
• Molecular Weight: 314.924
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID20594330
• Wikidata: Q82489130
• Mol file: 260050-97-3.mol

Synonyms:260050-97-3;4-(BROMOMETHYL)-1-FLUORO-2-IODOBENZENE;4-FLUORO-3-IODOBENZYL BROMIDE;4-Bromomethyl-1-fluoro-2-iodo-benzene;SCHEMBL5722654;DTXSID20594330;XFHUCASFWPULRF-UHFFFAOYSA-N;MFCD08236849;AKOS037655246;AB44169;DA-43006;PS-10033;Benzene, 4-(bromomethyl)-1-fluoro-2-iodo-;CS-0450278;4-(Bromomethyl)-1-fluoro-2-iodobenzene, alpha-Bromo-4-fluoro-3-iodotoluene

Chemical Property of 4-(Bromomethyl)-1-fluoro-2-iodobenzene

Chemical Property:

• Boiling Point: 285.8±30.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.168±0.06 g/cm3(Predicted)
• LogP: 3.32520
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 313.86034
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-3-iodobenzyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CBr)I)F

Technology Process of 4-(Bromomethyl)-1-fluoro-2-iodobenzene

There total 2 articles about 4-(Bromomethyl)-1-fluoro-2-iodobenzene 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: 26.0%

1-fluoro-2-iodo-4-methylbenzene (452-82-4) → 4-(bromomethyl)-1-fluoro-2-iodobenzene (260050-97-3)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 80 ℃; for 4h;

Reference yield:

azobisisobutyronitrile (34241-39-9) + 1-fluoro-2-iodo-4-methylbenzene (452-82-4) → 4-(bromomethyl)-1-fluoro-2-iodobenzene (260050-97-3)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

Reference yield:

4-(bromomethyl)-1-fluoro-2-iodobenzene (260050-97-3) → 4-fluoro-3-iodobenzaldehyde (227609-88-3)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 120 ℃; for 1.5h;

DOI:10.1021/jm034122o

upstream raw materials:

1-fluoro-2-iodo-4-methylbenzene

azobisisobutyronitrile

Downstream raw materials:

4-fluoro-3-iodobenzaldehyde