2-Chloro-4-fluorobenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-4-fluorobenzoyl chloride
• CAS No.: 21900-54-9
• Molecular Formula: C7H3Cl2FO
• Molecular Weight: 193.005
• Hs Code.: 29163990
• European Community (EC) Number: 623-229-3
• DSSTox Substance ID: DTXSID90371433
• Wikidata: Q72450621
• Mol file: 21900-54-9.mol

Synonyms:2-Chloro-4-fluorobenzoyl chloride;21900-54-9;2-chloro-4-fluorobenzoylchloride;2-chloro-4-fluoro-benzoyl chloride;2-chloro-4-fluorobenzene-1-carbonyl chloride;BENZOYL CHLORIDE, 2-CHLORO-4-FLUORO-;Benzoyl chloride,2-chloro-4-fluoro-;SCHEMBL106341;2chloro-4-fluorobenzoyl chloride;DTXSID90371433;4-fluoro-2-chlorobenzoyl chloride;POIAZJJVWRVLBO-UHFFFAOYSA-N;2-cloro-4-fluoro-benzoyl chloride;2-chloro -4-fluorobenzoyl chloride;AMY33483;MFCD00084954;AKOS009158481;2-Chloro-4-fluorobenzoyl chloride, 97%;C2697;FT-0611763;A24200;EN300-1262987;11E-036;J-014339;F2190-0148

Chemical Property of 2-Chloro-4-fluorobenzoyl chloride

Chemical Property:

• Appearance/Colour: Clear pale yellow to yellow liquid
• Vapor Pressure: 0.162mmHg at 25°C
• Melting Point: 16 °C
• Refractive Index: 1.549-1.551
• Boiling Point: 213.656 °C at 760 mmHg
• Flash Point: 83.016 °C
• PSA: 17.07000
• Density: 1.462 g/cm³
• LogP: 2.85810
• Sensitive.: Moisture Sensitive
• XLogP3: 3.3
• 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:

98%,99%, ^*data from raw suppliers

2-Chloro-4-fluorobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-29-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Chloro-4-fluorobenzoyl chloride

There total 3 articles about 2-Chloro-4-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:

2-choro-4-fluorobenzoic acid (2252-51-9) → 2-chloro-4-fluorobenzoyl chloride (21900-54-9)

Guidance literature:

With thionyl chloride;

Reference yield:

oxalyl dichloride (79-37-8) + 2-choro-4-fluorobenzoic acid (2252-51-9) → 2-chloro-4-fluorobenzoyl chloride (21900-54-9)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

Reference yield:

→ 2-chloro-4-fluorobenzoyl chloride (21900-54-9)

Guidance literature:

upstream raw materials:

2-choro-4-fluorobenzoic acid

oxalyl dichloride

Downstream raw materials:

6-(2-chloro-4-fluoro-benzoylamino)-nicotinic acid

(2-chloro-4-fluoro-phenyl)-thiophen-2-yl-methanone

diethyl 2-[3-chloro-4-(2-thenoyl)phenyl]-2-methylmalonate

CLIPROFEN

Refernces

• 1、 -. "ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE". Page/Page column 143; 144. . Retrieved 2018/04/27.
• 2、 -. "P2X7 MODULATORS". Paragraph 0284; 1051; 1052. . Retrieved 2014/09/29.