2-Chloro-5-fluorobenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-5-fluorobenzoyl chloride
• CAS No.: 21900-51-6
• Molecular Formula: C7H3 Cl2 F O
• Molecular Weight: 193.005
• Hs Code.: 2916399090
• European Community (EC) Number: 640-730-2
• DSSTox Substance ID: DTXSID70373935
• Wikidata: Q72450633
• Mol file: 21900-51-6.mol

Synonyms:2-Chloro-5-fluorobenzoyl chloride;21900-51-6;2-chloro-5-fluorobenzoylchloride;BENZOYL CHLORIDE, 2-CHLORO-5-FLUORO-;5-fluoro-2-chlorobenzoyl chloride;SCHEMBL477556;DTXSID70373935;SGZSJPBASHYOHQ-UHFFFAOYSA-N;2-chloro-5-fluoro-benzoyl chloride;MFCD01631417;AKOS005257932;2-chloranyl-5-fluoranyl-benzoyl chloride;PS-10784;FT-0611820;2-chloro-5-fluorobenzoyl chloride, AldrichCPR;EN300-1459140;A815746

Chemical Property of 2-Chloro-5-fluorobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0783mmHg at 25°C
• Melting Point: 79～82℃
• Refractive Index: 1.55
• Boiling Point: 213.7°Cat760mmHg
• Flash Point: 83°C
• PSA: 17.07000
• Density: 1.462g/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:

99% ^*data from raw suppliers

2-Chloro-5-fluorobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-fluorobenzoyl chloride

There total 1 articles about 2-Chloro-5-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-chloro-5-fluoro-benzoic acid (2252-50-8) → 2-chloro-5-fluorobenzoyl chloride (21900-51-6)

Guidance literature:

With thionyl chloride;

Reference yield: 98.0%

2-chloro-5-fluorobenzoyl chloride (21900-51-6) + methyl 3-methoxy-4-aminobenzoate (41608-64-4) → 4-(2-chloro-5-fluoro-benzoylamino)-3-methoxy-benzoic acid methyl ester

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2007.09.059

Reference yield: 95.0%

2-chloro-5-fluorobenzoyl chloride (21900-51-6) + benzylamine (100-46-9) → 2-chloro-N-benzyl-5-fluorobenzamide (1256846-68-0)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 13h;

DOI:10.1021/ol102027j

upstream raw materials:

2-chloro-5-fluoro-benzoic acid

Downstream raw materials:

[carboxy-14C]4-(2-chloro-5-fluorobenzoylamino)-3-methoxybenzoic acid

N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-2-chloro-5-fluorobenzamide

2-(2-chloro-5-fluoro-benzoylamino)malonic acid diethyl ester

2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 2-chloro-5-fluorobenzoate

Refernces

• 1、 Balkrishna, Shah Jaimin,Bhakuni, Bhagat Singh,Chopra, Deepak,Kumar, Sangit. "Cu-catalyzed efficient synthetic methodology for ebselen and related se-N heterocycles". supporting information; body text. p. 5394 - 5397. Retrieved 2011/02/26.
• 2、 -. "Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives". Page 29. . Retrieved 2008/06/13.