2-Chloro-4,5-difluorobenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-4,5-difluorobenzoyl chloride
• CAS No.: 121872-95-5
• Molecular Formula: C7H2Cl2F2O
• Molecular Weight: 210.995
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50436658
• Wikidata: Q82251940
• Mol file: 121872-95-5.mol

Synonyms:2-Chloro-4,5-difluorobenzoyl chloride;121872-95-5;2-chloro-4,5-difluoro-benzoyl Chloride;2-chloro-4,5-difluorobenzoylchloride;MFCD04972708;SCHEMBL3820327;DTXSID50436658;WVGSPMZLNNRZRH-UHFFFAOYSA-N;AKOS015956926;PS-10698;2-chloro-4,5-difluorobenzoic acid chloride;CS-0267894;EN300-1459124;A804799;J-004689

Chemical Property of 2-Chloro-4,5-difluorobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.13mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 217.8 °C at 760 mmHg
• Flash Point: 85.5 °C
• PSA: 17.07000
• Density: 1.548 g/cm³
• LogP: 2.99720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.9450764
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-4,5-difluorobenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4,5-difluorobenzoyl chloride

There total 2 articles about 2-Chloro-4,5-difluorobenzoyl 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: 92.1%

2-chloro-4,5-difluorobenzoic acid (110877-64-0) → 2-chloro-4,5-difluorobenzoyl chloride (121872-95-5)

Guidance literature:

With pyridine; thionyl chloride; In toluene;

Reference yield:

2-chloro-4,5-difluorobenzotrichloride (136364-59-5) → 2-chloro-4,5-difluorobenzoyl chloride (121872-95-5)

Guidance literature:

Reference yield: 98.0%

ethyl acetoacetate (141-97-9) + 2-chloro-4,5-difluorobenzoyl chloride (121872-95-5) → 2-(2-Chloro-4,5-difluorobenzoyl)-3-oxobutyric acid ethyl ester

Guidance literature:

With 2-methylimidazole; magnesium chloride; In tetrahydrofuran; Ambient temperature;

DOI:10.1080/00304949709355192

upstream raw materials:

2-chloro-4,5-difluorobenzoic acid

2-chloro-4,5-difluorobenzotrichloride

Downstream raw materials:

2-chloro-4,5-difluoro-benzoic acid N'-(2,4-dichloro-5-fluoro-benzoyl)-hydrazide

2-chloro-4,5-difluoro-β-oxobenzenepropanoic acid ethyl ester

2-(2-chloro-4,5-difluorobenzoyl)-1,3-dihydroxybenzene

2-(2-chloro-4,5-difluorobenzoyl)-1,3-cyclohexandione

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、 -. "NOVEL COMPOUNDS". Page/Page column 76. . Retrieved 2008/06/13.