Pentachlorofluorobenzene

Base Information

• Chemical Name: Pentachlorofluorobenzene
• CAS No.: 319-87-9
• Molecular Formula: C6Cl5 F
• Molecular Weight: 268.329
• Hs Code.: 2903999090
• NSC Number: 146405
• DSSTox Substance ID: DTXSID70185757
• Nikkaji Number: J112.374B
• Wikidata: Q83056849
• Mol file: 319-87-9.mol

Synonyms:PENTACHLOROFLUOROBENZENE;319-87-9;1-Fluoropentachlorobenzene;1,2,3,4,5-Pentachloro-6-fluorobenzene;Fluoropentachlorobenzene;Benzene, pentachlorofluoro-;Pentchlorofluorobenzene;NSC146405;SCHEMBL1756500;DTXSID70185757;Clc1c(Cl)c(Cl)c(F)c(Cl)c1Cl;NSC 146405;NSC-146405;1-fluoro-2,3,4,5,6-pentachlorobenzene;1,2,3,4,5-Pentachloro-6-fluorobenzene #

Chemical Property of Pentachlorofluorobenzene

Chemical Property:

• Vapor Pressure: 0.00659mmHg at 25°C
• Melting Point: 137-138 °C
• Boiling Point: 280°C at 760 mmHg
• Flash Point: 134.3°C
• PSA: 0.00000
• Density: 1.749g/cm³
• LogP: 5.09270
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 267.839717
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentachlorofluorobenzene

There total 14 articles about Pentachlorofluorobenzene 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: 5.0%

Chlorotrifluoroethylene (79-38-9,9036-80-0) → 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) + pentachlorofluorobenzene (319-87-9) + perfluorotoluene (434-64-0)

Guidance literature:

at 750 - 800 ℃; for 0.00111111h; Product distribution; flow-type reactor;

Reference yield:

1,2-dichloro-1,2-difluoroethene (598-88-9) → 1,2-dichloro-1,1,2,2-tetrafluoroethane (76-14-2) + 1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) + 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) + pentachlorofluorobenzene (319-87-9) + 2,5,6-Trichloropentafluoro-1,3-cyclohexadiene (122607-53-8) + 1,3,5-trichlorotrifluorobenzene (319-88-0)

Guidance literature:

at 900 ℃; for 0.00105556h; Product distribution; Mechanism; other temperature, other contact time;

Reference yield:

fluorobenzene (462-06-6) → pentachlorobenzene (608-93-5) + hexachlorobenzene (118-74-1,67471-27-6) + pentachlorofluorobenzene (319-87-9)

Guidance literature:

With aluminum (III) chloride; chlorine; In 1,2-dichloro-ethane; at 0 - 25 ℃;

upstream raw materials:

fluorobenzene

Quintozene

2,4,5,6-tetrachloropyrimidine

1,2-dichloro-1,2-difluoroethene

Downstream raw materials:

3-(2,3,4,5,6-Pentachlorophenoxy)-anisole

4-(2,3,4,5,6-Pentachlorophenoxy)-anisole

1,3,5-trichlorotrifluorobenzene

3-(2,3,4,5,6-Pentachlorophenoxy)-phenole

Refernces

• 1、 Hitzke,J.. "LES FLUORATIONS COMPAREES DES CHLOROPYRIMIDINES ET DE LA CHLORO-S-TRIAZINE". . p. 385 - 402. Retrieved 1981.
• 2、 -. "METHOD FOR THE PRODUCTION OF 1,3,5-TRIFLUORO-2,4,6-TRICHLOROBENZENE FROM FLUOROBENZENE DERIVATIVES". Page/Page column 9. . Retrieved 2008/06/13.
• 3、 Bennett, Brian K.,Harrison, Roger G.,Richmond, Thomas G.. "Cobaltocenium fluoride: A novel source of "naked" fluoride formed by carbon-fluorine bond activation in a saturated perfluorocarbon". . p. 11165 - 11166. Retrieved 2007/10/02.