2,3,5,6-Tetrafluorobenzenethiol

Base Information

• Chemical Name: 2,3,5,6-Tetrafluorobenzenethiol
• CAS No.: 769-40-4
• Molecular Formula: C6H2F4S
• Molecular Weight: 182.141
• Hs Code.: 29309090
• European Community (EC) Number: 212-210-1
• NSC Number: 96887
• UNII: OU983I5IKR
• DSSTox Substance ID: DTXSID20227696
• Nikkaji Number: J98A
• Wikidata: Q72505271
• ChEMBL ID: CHEMBL1973651
• Mol file: 769-40-4.mol

Synonyms:2,3,5,6-tetrafluorobenzenethiol;2,3,5,6-tetrafluorothiophenol;TFTP

Chemical Property of 2,3,5,6-Tetrafluorobenzenethiol

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 4.45mmHg at 25°C
• Refractive Index: n20/D 1.4865(lit.)
• Boiling Point: 152.6 °C at 760 mmHg
• PKA: 3.84±0.50(Predicted)
• Flash Point: 48.3 °C
• PSA: 38.80000
• Density: 1.532 g/cm³
• LogP: 2.53170
• Storage Temp.: Flammables area
• Sensitive.: Stench
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 181.98133389
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-Tetrafluorothiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,5,6-Tetrafluorobenzenethiol

There total 5 articles about 2,3,5,6-Tetrafluorobenzenethiol 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:

(3S,3aR,4S,6aR,9S,9aR,9bR)-4-Hydroxy-9-methyl-6-methylene-3-(2,3,5,6-tetrafluoro-phenylsulfanylmethyl)-octahydro-azuleno[4,5-b]furan-2,8-dione → grosheimin (22489-66-3) + 2,3,5,6-tetrafluorothiophenol (769-40-4)

Guidance literature:

With phosphate buffer; In methanol; at 37 ℃; pH=7.4; Kinetics;

DOI:10.1016/S0223-5234(99)80100-7

Reference yield:

Pentafluorobenzene (363-72-4) → 2,3,5,6-tetrafluorothiophenol (769-40-4)

Guidance literature:

With potassium hydrosulfide; In N,N-dimethyl-formamide; at 45 - 55 ℃;

DOI:10.1007/s11178-006-0012-1

Reference yield:

sodium hydrogen sulfide + Pentafluorobenzene (363-72-4) → 2,3,5,6-tetrafluorothiophenol (769-40-4)

Guidance literature:

In pyridine; ethylene glycol;

upstream raw materials:

1,2,4,5-Tetrafluorobenzene

Pentafluorobenzene

Downstream raw materials:

prop-2-enyl 2,3,5,6-tetrafluorophenyl sulphide

prop-2-enyl 2,3,5,6-tetrafluoro-4-(prop-2-enyl)phenyl sulphide

2,3,5,6-tetrafluoro-4-mercapto-benzoic acid

1-bromo-2,3,5,6-tetrafluorobenzene

Refernces

• 1、 Fardella, Giuseppe,Barbetti, Paolo,Grandolini, Giuliano,Chiappini, Ione,Ambrogi, Valeria,Scarcia, Vito,Furlani Candiani, Ariella. "Phenylthio-derivatives of α-methylene-γ-lactones as pro-drugs of cytotoxic agents". . p. 515 - 523. Retrieved 2007/10/03.