1,3,5-Trichloro-2-fluorobenzene

Base Information

• Chemical Name: 1,3,5-Trichloro-2-fluorobenzene
• CAS No.: 36556-33-9
• Molecular Formula: C₆H₂Cl₃F
• Molecular Weight: 199.439
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID00190051
• Nikkaji Number: J392.475K
• Wikidata: Q83062310
• Mol file: 36556-33-9.mol

Synonyms:1,3,5-trichloro-2-fluorobenzene;36556-33-9;Benzene,1,3,5-trichloro-2-fluoro-;Benzene, 1,3,5-trichloro-2-fluoro-;1,3,5-Trichloro-2-fluoro-benzene;C6H2Cl3F;2,4,6-TRICHLOROFLUOROBENZENE;2,4,6-Trichloro-1-fluorobenzene;SCHEMBL3682577;DTXSID00190051;MFCD00060654;AKOS006271826;AM83204;DS-2649;CS-0157723;FT-0690848;A874327

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

Chemical Property:

• Vapor Pressure: 0.177mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 219.4 °C at 760 mmHg
• Flash Point: 90.7 °C
• PSA: 0.00000
• Density: 1.54 g/cm³
• LogP: 3.78590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• 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

1,3,5-Trichloro-2-fluorobenzene 95+% ^*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)F)Cl)Cl

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

There total 4 articles about 1,3,5-Trichloro-2-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:

2,4,6-trichloronitrobenzene (18708-70-8) → 2,4,6-Trichlorofluorobenzene (36556-33-9) + 1,3-dichloro-5-fluoro-2-nitrobenzene (180134-21-8) + 1,5-Dichloro-3-fluoro-2-nitro-benzene

Guidance literature:

With N-methylhexamethylenetetrammonium fluoride; In dimethyl sulfoxide; at 100 ℃; for 0.5h;

DOI:10.1016/0022-1139(96)03421-5

Reference yield:

→ 2,4,6-Trichlorofluorobenzene (36556-33-9)

Guidance literature:

DOI:10.1021/ja01314a012

Reference yield:

2,4,6-trichloroaniline (634-93-5) → 2,4,6-Trichlorofluorobenzene (36556-33-9)

Guidance literature:

With pyridine; hydrogen fluoride; sodium nitrite; Yield given. Multistep reaction; 1.) 20 deg C, 10 min, 2.) irradiated, 20 deg C, 18 h;

upstream raw materials:

2,4,6-trichloroaniline

2,4,6-trichloronitrobenzene

Downstream raw materials:

5-Chloro-2-(2,4,6-trichloro-phenoxy)-phenol

4,6-dichloro-2-(2,4,6-trichlorophenoxy)phenol

2.4.6-Trichlor-1-fluor-3-nitro-benzol

4,5,6-trichloro-2-(2,4,6-trichlorophenoxy)phenol

Refernces

• 1、 Clark, James H.,Nightingale, David J.. "Methylhexamethylenetetramine fluoride dihydrate: A new fluorodenitration reagent". . p. 91 - 93. Retrieved 2007/10/03.