4-Fluoro-3-iodotoluene

Base Information

• Chemical Name: 4-Fluoro-3-iodotoluene
• CAS No.: 452-82-4
• Molecular Formula: C7H6FI
• Molecular Weight: 236.028
• Hs Code.: 2903999090
• European Community (EC) Number: 624-168-5
• NSC Number: 29032
• DSSTox Substance ID: DTXSID80282983
• Wikidata: Q72473737
• Mol file: 452-82-4.mol

Synonyms:4-Fluoro-3-iodotoluene;452-82-4;1-fluoro-2-iodo-4-methylbenzene;1-fluoro-2-iodo-4-methyl-benzene;3-iodo-4-fluorotoluene;NSC29032;4-Fluor-3-jodtoluol;SCHEMBL4023949;4-Fluoro-3-iodotoluene, 97%;DTXSID80282983;CK2323;MFCD00079759;NSC-29032;AKOS009157727;Benzene, 1-fluoro-2-iodo-4-methyl-;AC-9829;AM61998;CS-W012880;AS-45884;A7145;A7706;FT-0632149;EN300-646040

Chemical Property of 4-Fluoro-3-iodotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.256mmHg at 25°C
• Refractive Index: n20/D 1.5800(lit.)
• Boiling Point: 212.2 °C at 760 mmHg
• Flash Point: 85.3 °C
• PSA: 0.00000
• Density: 1.788 g/cm³
• LogP: 2.73870
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 235.94983
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-3-iodotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-52/53
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)I

Technology Process of 4-Fluoro-3-iodotoluene

There total 2 articles about 4-Fluoro-3-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:

→ 1-fluoro-2-iodo-4-methylbenzene (452-82-4)

Guidance literature:

DOI:10.1021/ja01350a046

Reference yield:

3-iodo-toluene-4-diazonium ; tetrafluoroborate → 1-fluoro-2-iodo-4-methylbenzene (452-82-4)

Guidance literature:

beim Erhitzen;

DOI:10.1021/ja01350a046

Reference yield: 75.0%

carbon monoxide (201230-82-2) + 1-fluoro-2-iodo-4-methylbenzene (452-82-4) + phenylacetylene (536-74-3) → NSC 55788 (787-44-0)

Guidance literature:

With sodiumsulfide nonahydrate; palladium diacetate; triethylamine; tri tert-butylphosphoniumtetrafluoroborate; In acetonitrile; at 40 - 80 ℃; for 36h; under 3750.38 Torr; Reagent/catalyst; Inert atmosphere; Autoclave; Green chemistry;

DOI:10.1002/anie.201600953

Downstream raw materials:

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

4-fluoro-3-iodobenzaldehyde

benzyl bromide

3-iodo-4-fluorobenzoic acid