1-Chloro-2,3,4,6-tetrafluorobenzene

Base Information

• Chemical Name: 1-Chloro-2,3,4,6-tetrafluorobenzene
• CAS No.: 5172-06-5
• Molecular Formula: C6HClF4
• Molecular Weight: 184.5187528
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID70477240
• Nikkaji Number: J1.881.057C
• Wikidata: Q82309595
• Mol file: 5172-06-5.mol

Synonyms:1-Chloro-2,3,4,6-tetrafluorobenzene;5172-06-5;2-Chloro-1,3,4,5-tetrafluorobenzene;SCHEMBL2930354;DTXSID70477240;MFCD09263730;AKOS005257736

Chemical Property of 1-Chloro-2,3,4,6-tetrafluorobenzene

Chemical Property:

• Vapor Pressure: 13mmHg at 25°C
• Refractive Index: 1.4410 (589.3 nm 20℃)
• Boiling Point: 123-123.5℃
• Flash Point: 31.3°C
• PSA: 0.00000
• Density: 1.56g/cm³
• LogP: 2.89640
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 183.9702904
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99%, ^*data from raw suppliers

1-Chloro-2,3,4,6-tetrafluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)Cl)F)F)F

Technology Process of 1-Chloro-2,3,4,6-tetrafluorobenzene

There total 8 articles about 1-Chloro-2,3,4,6-tetrafluorobenzene 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: 60.0%

1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) → 1-chloro-2,3,5,6-tetrafluorobenzene (1835-61-6) + 1-chloro-2,3,4,5-tetrafluorobenzene (769-37-9) + 1-chloro-2,3,4,6-tetrafluorobenzene (5172-06-5)

Guidance literature:

With tetrabutylammonium triphenyldifluorosilicate; HSiPh₃; In tetrahydrofuran; benzene-d6; at 60 ℃; for 40h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201708003

Reference yield:

chloro-trimethyl-silane (75-77-4) + 1,3-dichloro-2,4,5,6-tetrafluorobenzene (1198-61-4) → 1-chloro-2,3,4,6-tetrafluorobenzene (5172-06-5) + m-chlorotetrafluorotrimethylsilylbenzene (27602-32-0)

Guidance literature:

With para-dichlorobenzene; 1,2-dichloro-3,4,5,6-tetrafluorobenzene; hexaethylphosphoric triamide; In hexane; at 20 ℃; for 168h; Title compound not separated from byproducts;

DOI:10.1007/BF02495213

Reference yield:

2-bromo-1,3,4,5-tetrafluorobenzene (1559-86-0) → 1-chloro-2,3,4,6-tetrafluorobenzene (5172-06-5)

Guidance literature:

With copper(l) chloride; In N,N-dimethyl-formamide; Heating;

DOI:10.1016/S0040-4020(01)99045-3

upstream raw materials:

2-bromo-1,3,4,5-tetrafluorobenzene

1,3-dichloro-2,4,5,6-tetrafluorobenzene

3-chloro-2,4,5,6-tetrafluorobenzoic acid

chloro-trimethyl-silane

Downstream raw materials:

1-Chlor-4-methoxy-2,3,6-trifluorbenzol

1-Chlor-2-methoxy-3,4,6-trifluorbenzol

3-Chlor-2,4,5,6-tetrafluorphenyl-bispentafluorphenylmethan

3,3-dichloro-2,2',4,4',5,5',6,6'-octafluorodiphenyl disulfide

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