2,3,4,5-Tetrafluorobenzoyl chloride

Base Information

• Chemical Name: 2,3,4,5-Tetrafluorobenzoyl chloride
• CAS No.: 94695-48-4
• Molecular Formula: C7HClF4O
• Molecular Weight: 212.531
• Hs Code.: 29163990
• European Community (EC) Number: 619-058-9
• DSSTox Substance ID: DTXSID30369975
• Nikkaji Number: J795.485I
• Wikidata: Q72505099
• Mol file: 94695-48-4.mol

Synonyms:2,3,4,5-Tetrafluorobenzoyl chloride;94695-48-4;2,3,4,5-tetrafluorobenzoylchloride;Benzoyl chloride, 2,3,4,5-tetrafluoro-;C7HClF4O;2,3,4,5-tetrafluoro benzoyl chloride;tetrafluorobenzoyl chloride;2,3,4,5-tetrafluorobenzoic acid chloride;2,3,4,5-Tetrafluorobezoylchloride;MFCD00075164;2,3,4,5- Tetrafluorobenzoyl chloride;N-METHYL TETRACHLORO PHTHALIMIDE;EC 619-058-9;2,3,4,5-tetrafluoro-benzoyl chloride;SCHEMBL345016;DTXSID30369975;XWCKIXLTBNGIHV-UHFFFAOYSA-N;BCP29603;2,3,4,5-tetrafluorobenzoyl chlorde;AKOS005259621;AM61709;HY-W250129;PS-10684;2,3,4,5-tetra-fluoro-benzoic acid chloride;2,3,4,5-Tetrafluorobenzoyl chloride, 98%;CS-0255991;FT-0609346;FT-0609347;T1855;J-506851

Chemical Property of 2,3,4,5-Tetrafluorobenzoyl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 1.21mmHg at 25°C
• Refractive Index: n20/D 1.4787(lit.)
• Boiling Point: 174.4 °C at 760 mmHg
• Flash Point: 59.3 °C
• PSA: 17.07000
• Density: 1.601 g/cm³
• LogP: 2.62200
• Sensitive.: Moisture Sensitive
• XLogP3: 2.8
• 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:

99% ^*data from raw suppliers

2,3,4,5-Tetrafluorobenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37-36/37
• Safety Statements: 26-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)Cl
• Uses: 2,3,4,5-Tetrafluorobenzoyl chloride was used in the preparation of 4-hydroxy-1-(3-pyridyl)-1-butanone-tetrafluorobenzoate. It was also used in the synthesis of N-[(4-carbamoylphenyl)carbamothioyl]-2,3,4,5-tetrafluorobenzamide.

Technology Process of 2,3,4,5-Tetrafluorobenzoyl chloride

There total 7 articles about 2,3,4,5-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: 99.7%

→ 2,3,4,5-tetrafluorobenzoyl chloride (94695-48-4)

Guidance literature:

Reference yield: 99.0%

2,3,4,5-tetrafluorobenzoic acid (1201-31-6) → 2,3,4,5-tetrafluorobenzoyl chloride (94695-48-4)

Guidance literature:

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

Reference yield:

2,3,4,5-tetraflurobenzotrichloride (157766-28-4) → 2,3,4,5-tetrafluorobenzoyl chloride (94695-48-4)

Guidance literature:

With FeCl₃; In water;

upstream raw materials:

2,3,4,5-tetrafluorobenzoic acid

oxalyl dichloride

dichloromethane

magnesium ethylate

Downstream raw materials:

ethyl 3-(2,3,4,5-tetrafkuorophenyl)-3-oxopropanoate

1-Cyclopropyl-6,7,8-trifluoro-2-(2-nitro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

2-(4-Chloro-2-nitro-phenyl)-1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

1-Cyclopropyl-6,7,8-trifluoro-2-(3-methoxy-2-nitro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "Preparation method of tetrafluorobenzene methanol". Paragraph 0047; 0048. . Retrieved 2019/02/13.
• 2、 Trishin, Yu. G.,Fedorov,Lyssenko,Prokof’eva,Rudenok, Yu. S.,Pavlova. "3,28-Bis-O-polyfluorobenzoylbetulin. Synthesis, Molecular Structure, and Cytotoxicity". . p. 1480 - 1485. Retrieved 2019/01/04.