4-Chloro-3-fluorobenzoyl chloride

Base Information

• Chemical Name: 4-Chloro-3-fluorobenzoyl chloride
• CAS No.: 177787-25-6
• Molecular Formula: C7H3 Cl2 F O
• Molecular Weight: 193.005
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20397601
• Wikidata: Q72450629
• Mol file: 177787-25-6.mol

Synonyms:4-Chloro-3-fluorobenzoyl chloride;177787-25-6;Benzoyl chloride, 4-chloro-3-fluoro- (9CI);3-Fluoro-4-chlorobenzoyl chloride;Benzoyl chloride, 4-chloro-3-fluoro-;SCHEMBL3026551;4-Chloro-3-fluorobenzoylchloride;DTXSID20397601;HJMGUKOEVZJUAO-UHFFFAOYSA-N;MFCD02091532;AKOS006345465;AM61365;4-Chloro-3-fluorobenzoyl chloride 97%;PS-10777;FT-0676993;A856782;J-011319

Chemical Property of 4-Chloro-3-fluorobenzoyl chloride

Chemical Property:

• Boiling Point: 222℃
• Flash Point: 88℃
• PSA: 17.07000
• Density: 1.462
• LogP: 2.85810
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.9544983
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-3-fluorobenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)Cl)F)Cl

Technology Process of 4-Chloro-3-fluorobenzoyl chloride

There total 1 articles about 4-Chloro-3-fluorobenzoyl 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: 91.0%

4-chloro-3-fluorobenzoic acid (403-17-8) → 3-fluoro-4-chlorobenzoyl chloride (177787-25-6)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

Reference yield: 91.0%

3-fluoro-4-chlorobenzoyl chloride (177787-25-6) + 2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5 -ethyl-3,6-dimethylpyrimidin-4(3H)-one → 4-chloro-N-(1-(5-ethyl-1,4-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-fluorobenzamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.5h;

Reference yield: 90.0%

3-fluoro-4-chlorobenzoyl chloride (177787-25-6) + 1-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-amine → 4-chloro-N-(1-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-fluorobenzamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.5h;

upstream raw materials:

4-chloro-3-fluorobenzoic acid

Downstream raw materials:

C₁₂H₇Cl₂FN₂O

4-chloro-N-(2-chloropyrimidin-5-yl)-3-fluorobenzamide