1,3-Dichlorotetrafluorobenzene

Base Information

• Chemical Name: 1,3-Dichlorotetrafluorobenzene
• CAS No.: 1198-61-4
• Molecular Formula: C6Cl2 F4
• Molecular Weight: 218.966
• Hs Code.: 2903999090
• European Community (EC) Number: 214-835-5
• DSSTox Substance ID: DTXSID20152595
• Nikkaji Number: J102.700J
• Wikidata: Q72468225
• Mol file: 1198-61-4.mol

Synonyms:1,3-Dichlorotetrafluorobenzene;1198-61-4;1,3-Dichloro-2,4,5,6-tetrafluorobenzene;Benzene, 1,3-dichloro-2,4,5,6-tetrafluoro-;Benzene, 1,3-dichlorotetrafluoro-;CCRIS 4138;EINECS 214-835-5;1,3-dichloro-2,4,5,6-tetrafluoro-Benzene;C6Cl2F4;Tetrafluoro-m-dichlorobenzene;C6-Cl2-F4;SCHEMBL10589276;DTXSID20152595;MFCD00075193;AKOS015889794;2,4,5,6-Tetrafluoro-1,3-dichlorobenzene;LS-188230;FT-0606654;A804379;2-[amino(butoxy)phosphoryl]oxy-1,4-dichloro-benzene

Chemical Property of 1,3-Dichlorotetrafluorobenzene

Chemical Property:

• Refractive Index: n20/D 1.468(lit.)
• Boiling Point: 150-152 ºC
• Flash Point: 164ºC
• PSA: 0.00000
• Density: 1.652 g/mL at 25 °C(lit.)
• LogP: 3.54980
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.9313180
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

1,3-DICHLOROTETRAFLUOROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dichlorotetrafluorobenzene

There total 4 articles about 1,3-Dichlorotetrafluorobenzene 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: 94.5%

hexachlorobenzene (118-74-1,67471-27-6) → 1,4-dichloro-2,3,5,6-tetrafluorobenzene (1198-62-5) + 1,3-dichloro-2,4,5,6-tetrafluorobenzene (1198-61-4) + 1,2-dichloro-3,4,5,6-tetrafluorobenzene (1198-59-0)

Guidance literature:

Title compound not separated from byproducts;

DOI:10.1023/A:1023447908449

Reference yield:

Hexafluorobenzene (392-56-3) → 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) + 1,3-dichloro-2,4,5,6-tetrafluorobenzene (1198-61-4) + 1,2,3,5-tetrachloro-4,6-difluorobenzene (1198-56-7) + 1,3,5-trichlorotrifluorobenzene (319-88-0)

Guidance literature:

With hexaethylguanidinium chloride; sodium chloride; at 130 - 140 ℃; for 48h; Further Variations:; Reagents; Temperatures; Product distribution;

DOI:10.1023/B:RUJO.0000045890.17421.42

Reference yield:

1,3,5-trichlorotrifluorobenzene (319-88-0) → 1,3-dichloro-2,4,5,6-tetrafluorobenzene (1198-61-4)

Guidance literature:

With potassium fluoride; at 440 - 450 ℃;

upstream raw materials:

1,3,5-trichlorotrifluorobenzene

hexachlorobenzene

Hexafluorobenzene

Downstream raw materials:

2,4-dichloro-3,5,6-trifluoroaniline

2,4-bis(trifluoromethyl)-trifluorophenylhydrazine

2,4-dichlorotrifluorophenylhydrazine

1-Chlor-2-dimethylamino-3.4.6-trifluor-benzol