4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride

Base Information

• Chemical Name: 4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride
• CAS No.: 145572-10-7
• Molecular Formula: C7Cl2F4O
• Molecular Weight: 246.976
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00382535
• Wikidata: Q82173898
• Mol file: 145572-10-7.mol

Synonyms:4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride;145572-10-7;Benzoyl chloride, 4-chloro-2,3,5,6-tetrafluoro-;Benzoyl chloride,4-chloro-2,3,5,6-tetrafluoro-;DTXSID00382535;4-chlorotetrafluorobenzoyl chloride;AKOS015911852;AS-76019;FT-0617993;A808389;4-chloranyl-2,3,5,6-tetrakis(fluoranyl)benzoyl chloride;D,L-THREO-1-PHENYL-2-HEXADECANOYLAMINO-3-MORPHOLINO-1-PROPANOLHCL

Chemical Property of 4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.405mmHg at 25°C
• Refractive Index: 1.4937
• Boiling Point: 196.1 °C at 760 mmHg
• Flash Point: 72.4 ºC
• PSA: 17.07000
• Density: 1.707 g/cm³
• LogP: 3.27540
• Sensitive.: Moisture Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 245.9262327
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-2,3,5,6-TETRAFLUOROBENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride

There total 5 articles about 4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride 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:

1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (778-34-7) → 2,3,4,5,6-pentafluorobenzoyl fluoride (1478-07-5) + pentafluorobenzoylchloride (2251-50-5) + dichlorofluoromethylpentafluorobenzene (58161-52-7) + 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride (145572-10-7)

Guidance literature:

With water; iron(III) chloride; at 110 - 115 ℃; for 1h;

DOI:10.1023/B:RUJO.0000003188.49417.22

Reference yield:

1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (778-34-7) → 2,3,4,5,6-pentafluorobenzoyl fluoride (1478-07-5) + pentafluorobenzoylchloride (2251-50-5) + 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride (145572-10-7)

Guidance literature:

With water; iron(III) chloride; at 110 - 115 ℃; for 1h; Further Variations:; Temperatures; amounts of reactants; Product distribution;

DOI:10.1023/B:RUJO.0000003188.49417.22

Reference yield:

4-sulpho-2,3,5,6-tetrafluorobenzoic acid (125662-60-4) → 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride (145572-10-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 6h; Yield given; Heating;

DOI:10.1016/S0022-1139(00)80200-6

upstream raw materials:

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

1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene

Pentafluorobenzoic acid

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

Downstream raw materials:

ethylene glycol bis-(4-fluorosulphonyl-2,3,5,6-tetrafluorobenzoate)

4-fluorosulphonyl-2,3,5,6-tetrafluorobenzanilide

methyl 4-fluorosulphonyl-2,3,5,6-tetrafluorobenzoate

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

Refernces

• 1、 Fielding, H. C.,Shirley, I. M.. "Synthesis and reactions of 4-sulpho-2,3,5,6-tetrafluorobenzoic acid". . p. 15 - 31. Retrieved 2007/10/02.