2,3,5-Trifluorobenzoyl chloride

Base Information

• Chemical Name: 2,3,5-Trifluorobenzoyl chloride
• CAS No.: 240800-48-0
• Molecular Formula: C7H2 Cl F3 O
• Molecular Weight: 194.54
• Hs Code.: 2916399090
• European Community (EC) Number: 671-910-9
• DSSTox Substance ID: DTXSID80380332
• Wikidata: Q72510955
• Mol file: 240800-48-0.mol

Synonyms:2,3,5-Trifluorobenzoyl chloride;240800-48-0;2,3,5-Trifluorbenzoyl chloride;2,3,5-tris(fluoranyl)benzoyl chloride;SCHEMBL477822;DTXSID80380332;MFCD00083541;AKOS006229013;FT-0676268;A813364;A817075

Chemical Property of 2,3,5-Trifluorobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.814mmHg at 25°C
• Boiling Point: 182.3°Cat760mmHg
• Flash Point: 64.1°C
• PSA: 17.07000
• Density: 1.514g/cm³
• LogP: 2.48290
• Sensitive.: Lachrymatory
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.9746269
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

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

2,3,5-Trifluorobenzoylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,5-Trifluorobenzoyl chloride

There total 1 articles about 2,3,5-Trifluorobenzoyl 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:

2,3,5-trifluorobenzoic acid (654-87-5) → 2,3,5-trifluorobenzoyl chloride (240800-48-0)

Guidance literature:

With oxalyl dichloride; In dichloromethane; for 1.5h; Product distribution / selectivity;

Reference yield: 98.0%

2,3,5-trifluorobenzoyl chloride (240800-48-0) → ethyl 3-oxo-3-(2,43,5-trifluoro)phenylpropanoate (105804-40-8)

Guidance literature:

sodium monoethyl malonate; With magnesium chloride; In acetonitrile; at 5 - 10 ℃; for 0.5h;

2,3,5-trifluorobenzoyl chloride; In acetonitrile; for 0.0833333h;

With triethylamine; In acetonitrile; at 5 - 20 ℃; for 2h;

Reference yield: 85.0%

2-chloroethanamine hydrochloride (870-24-6) + 2,3,5-trifluorobenzoyl chloride (240800-48-0) → N-(2-chloroethyl)-2-(2,3,5-trifluorophenyl)acid amide (1109138-68-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.200800671

upstream raw materials:

2,3,5-trifluorobenzoic acid

Downstream raw materials:

ethyl 3-(dimethylamino)-2-[(2,3,5-trifluorophenyl)carbonyl]-2-propenoate

ethyl 3-oxo-3-(2,43,5-trifluoro)phenylpropanoate

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

N-(2-chloroethyl)-2-(2,3,5-trifluorophenyl)acid amide

Refernces

• 1、 -. "MACROLONE COMPOUNDS". Page/Page column 38. . Retrieved 2010/11/30.