Chloropentafluorobenzene

Base Information

• Chemical Name: Chloropentafluorobenzene
• CAS No.: 344-07-0
• Molecular Formula: C6ClF5
• Molecular Weight: 202.511
• Hs Code.: 29039990
• European Community (EC) Number: 206-450-6
• NSC Number: 96886
• UNII: 3D8A2YE2U8
• DSSTox Substance ID: DTXSID4059837
• Nikkaji Number: J95.789E
• Wikidata: Q26840781
• Mol file: 344-07-0.mol

Synonyms:chloropentafluorobenzene

Chemical Property of Chloropentafluorobenzene

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Melting Point: -15.66°C
• Refractive Index: n20/D 1.424(lit.)
• Boiling Point: 123.8 °C at 760 mmHg
• Flash Point: 29.5 °C
• PSA: 0.00000
• Density: 1.654 g/cm³
• LogP: 3.03550
• Storage Temp.: Refrigerator
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 201.9608685
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chloropentafluorobenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20-36/37/38
• Safety Statements: 23-24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Cl)F)F)F
• Uses: Chloropentafluorobenzene has been used in the preparation of:1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at ?78°C

Technology Process of Chloropentafluorobenzene

There total 56 articles about Chloropentafluorobenzene 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: 93.0%

pentafluorophenylthiol (771-62-0) → 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0)

Guidance literature:

pentafluorophenylthiol; With phosphorus pentachloride; at 201 - 203 ℃; for 5h; Sealed tube;

With sodium carbonate; In water; for 4h; Time; Temperature;

DOI:10.1134/S1070428016020068

Reference yield: 93.0%

pentafluorobenzenesulfenyl chloride (27918-31-6) → 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0)

Guidance literature:

With chlorine; at 395 - 405 ℃; for 0.295h;

DOI:10.1007/s11178-006-0012-1

Reference yield: 90.0%

bis(pentafluorophenyl) disulfide (1494-06-0) → 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0)

Guidance literature:

With chlorine; at 405 - 410 ℃; for 0.295h;

DOI:10.1007/s11178-006-0012-1

upstream raw materials:

hexachlorobenzene

Hexafluoropropene oxide

cis-5,6-dichlorohexafluorocyclohexa-1,3-diene

Hexafluorobenzene

Downstream raw materials:

(E)-N,N-Dibutyl-3-(4-chloro-2,3,5,6-tetrafluoro-phenyl)-acrylamide

4-chlorononafluorodiphenylamine

methyl 9-pentafluorophenylfluorene-9-carboxylate

9-(4-Chloro-2,3,5,6-tetrafluoro-phenyl)-9H-fluorene-9-carboxylic acid methyl ester

Refernces

• 1、 Tsuji, Masaharu,Ishimi, Hiroaki,Nishimura, Yukio,Obase, Hiroshi. "Formation of NO(A 2Σ+, C 2Πr, D 2Σ+) by the ion-ion neutralization reactions of NO+ with C6F5Cl-, C6F5Br-, and C6F5- at thermal energy". . p. 2701 - 2709. Retrieved 1996.
• 2、 Bardin, Vadim V.,Maksimov, Alexander M.. "Unexpected distinction in reactivity of pentafluorobenzenesulfonyl halides toward organolithiums and organomagnesium halides". . p. 731 - 737. Retrieved 2017/10/16.
• 3、 Nikul'shin,Maksimov,Platonov. "Synthesis of chloropolyfluoroarenes from polyfluoroarenethiols and PCl5". . p. 200 - 205. Retrieved 2016/04/19.