2,3,4,6-Tetrafluorobenzoyl chloride

Base Information

• Chemical Name: 2,3,4,6-Tetrafluorobenzoyl chloride
• CAS No.: 123016-51-3
• Molecular Formula: C7HClF4O
• Molecular Weight: 212.531
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80382553
• Wikidata: Q82173910
• Mol file: 123016-51-3.mol

Synonyms:2,3,4,6-Tetrafluorobenzoyl chloride;123016-51-3;2,3,4,6-Tetrafluorobenzoylchloride;Benzoyl chloride, 2,3,4,6-tetrafluoro-;SCHEMBL9504878;DTXSID80382553;UYKQDVFTGGRFEQ-UHFFFAOYSA-N;MFCD03001171;AKOS025117111;AS-63848

Chemical Property of 2,3,4,6-Tetrafluorobenzoyl chloride

Chemical Property:

• Vapor Pressure: 2.64mmHg at 25°C
• Refractive Index: 1.4700
• Boiling Point: 94-97°C 61mm
• Flash Point: 94-97°C/61mm
• PSA: 17.07000
• Density: 1.601g/cm³
• LogP: 2.62200
• Sensitive.: Moisture Sensitive
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.9652050
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,4,6-Tetrafluorobenzoyl chloride

There total 2 articles about 2,3,4,6-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: 99.0%

2,3,4,6-tetrafluorobenzoic acid (32890-92-9) → 2,3,4,6-tetrafluorobenzoyl chloride (123016-51-3)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 70 ℃;

Reference yield:

2,4,5,6-tetrafluoroisophthalic acid (1551-39-9) → 2,3,4,6-tetrafluorobenzoyl chloride (123016-51-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide; dioxane / a) 140 deg C, 4 h, b) 150 deg 30 min

2: 96 percent / SOCl₂ / dimethylformamide / 5.5 h / 90 - 140 °C

With thionyl chloride; In 1,4-dioxane; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1248/cpb.43.2123

Reference yield: 99.0%

2,3,4,6-tetrafluorobenzoyl chloride (123016-51-3) → 2,4,5,6-tetrafluorobenzyl alcohol (53001-70-0)

Guidance literature:

With sodium tetrahydroborate; In 1,2-dimethoxyethane; water; at 5 - 80 ℃; for 4h; Inert atmosphere;

upstream raw materials:

2,3,4,6-tetrafluorobenzoic acid

2,4,5,6-tetrafluoroisophthalic acid

Downstream raw materials:

diethyl 2,3,4,6-tetrafluorobenzoylmalonate

ethyl 2,3,4,6-tetrafluorobenzoylacetate

ethyl 2-(2,3,4,6-tetrafluorobenzoyl)-3-cyclopropylacrylate

5-Benzylamino-8-chloro-1-cyclopropyl-7-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester