1,2,3-Trichloro-5-fluorobenzene

Base Information

• Chemical Name: 1,2,3-Trichloro-5-fluorobenzene
• CAS No.: 3107-21-9
• Molecular Formula: C6H2Cl3F
• Molecular Weight: 199.43700
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20577845
• Wikidata: Q82467963
• Mol file: 3107-21-9.mol

Synonyms:1,2,3-Trichloro-5-fluorobenzene;3107-21-9;3,4,5-trichlorofluorobenzene;Benzene, 1,2,3-trichloro-5-fluoro-;1-Fluoro-3,4,5-trichlorobenzene;MFCD16817656;DTXSID20577845;AMY28146;AKOS006335094;DS-18690;SY278452;CS-0060176;W17025

Chemical Property of 1,2,3-Trichloro-5-fluorobenzene

Chemical Property:

• Melting Point: 52 °C
• Boiling Point: 207.8±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.540±0.06 g/cm3(Predicted)
• LogP: 3.78590
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 197.920611
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

1,2,3-Trichloro-5-fluorobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)F

Technology Process of 1,2,3-Trichloro-5-fluorobenzene

There total 1 articles about 1,2,3-Trichloro-5-fluorobenzene 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: 69.0%

3,4,5-trichloroaniline (634-91-3) → 3,4,5-trichlorofluorobenzene (3107-21-9)

Guidance literature:

3,4,5-trichloroaniline; With hydrogenchloride; sodium nitrite; In water; for 0.5h; Cooling with ice;

With tetrafluoroboric acid; In water; for 1.5h;

Inert atmosphere; Heating;

DOI:10.1021/acsmedchemlett.8b00283

Reference yield: 88.0%

3,4,5-trichlorofluorobenzene (3107-21-9) → 3,4,5-trichloro-2,6-dinitrofluorobenzene

Guidance literature:

With sulfuric acid; sulfur trioxide; nitric acid; for 24h; Heating;

Reference yield: 17.0%

3,4,5-trichlorofluorobenzene (3107-21-9) + 4-Chlorobutanoyl chloride (4635-59-0) → C10H7Cl4FO

Guidance literature:

3,4,5-trichlorofluorobenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 2h;

With zinc(II) chloride; In tetrahydrofuran; at -78 - -10 ℃; for 4h;

4-Chlorobutanoyl chloride; With copper(l) chloride; In tetrahydrofuran; at -10 - 20 ℃;

DOI:10.1021/acsmedchemlett.8b00283

upstream raw materials:

3,4,5-trichloroaniline

Refernces