3-Fluoro-4-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 3-Fluoro-4-(trifluoromethyl)benzoyl chloride
• CAS No.: 216144-68-2
• Molecular Formula: C₈H₃ClF₄O
• Molecular Weight: 226.558
• Hs Code.: 29163990
• European Community (EC) Number: 623-664-9
• DSSTox Substance ID: DTXSID40370456
• Nikkaji Number: J2.037.122F
• Wikidata: Q72477373
• Mol file: 216144-68-2.mol

Synonyms:3-Fluoro-4-(trifluoromethyl)benzoyl chloride;216144-68-2;3-fluoro-4-(trifluoromethyl)benzoylchloride;3-fluoranyl-4-(trifluoromethyl)benzoyl chloride;Benzoyl chloride, 3-fluoro-4-(trifluoromethyl)-;SCHEMBL662965;DTXSID40370456;MFCD00236284;AKOS015853118;JS-4121;3-fluoro-4-trifluoromethylbenzoyl chloride;3-fluoro-4-trifluoromethyl benzoyl chloride;3-fluoro-4-(trifiuoromethyl)benzoyl chloride;3-Fluoro-4-(trifluoromethyl)benzoyl cloride;FT-0615681;D94707;3-Fluoro-4-(trifluoromethyl)benzoic acid chloride;A811308;A815524;A911395;3-Fluoro-4-(trifluoromethyl)benzoyl chloride, 95%;J-014175;F0001-0771

Chemical Property of 3-Fluoro-4-(trifluoromethyl)benzoyl chloride

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.132mmHg at 25°C
• Melting Point: 152 ºC
• Refractive Index: n20/D 1.465(lit.)
• Boiling Point: 217.5 °C at 760 mmHg
• Flash Point: 85.4 °C
• PSA: 17.07000
• Density: 1.475 g/cm³
• LogP: 3.22350
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.9808551
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

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

3-Fluoro-4-(trifluoromethyl)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Fluoro-4-(trifluoromethyl)benzoyl chloride

There total 1 articles about 3-Fluoro-4-(trifluoromethyl)benzoyl 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:

3-fluoro-4-(trifluoromethyl)benzoic acid (115754-21-7) → 3-fluoro-4-(trifluoromethyl)benzoyl chloride (216144-68-2)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; Reflux;

Reference yield: 76.0%

sipholenol-A (78518-73-7) + 3-fluoro-4-(trifluoromethyl)benzoyl chloride (216144-68-2) → 4β-O-4'-fluoro-5'-(trifluoromethyl)benzoylsipholenol A (1562411-64-6)

Guidance literature:

With dmap; In dichloromethane; Reflux;

DOI:10.1016/j.ejmech.2013.11.039

Reference yield: 73.0%

3-(2-aminobenzamido)benzoic acid (52956-63-5) + 3-fluoro-4-(trifluoromethyl)benzoyl chloride (216144-68-2) → 3-(2-(3-fluoro-4-(trifluoromethyl)benzamido)benzamido)benzoic acid

Guidance literature:

With pyridine; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jm500937v

upstream raw materials:

3-fluoro-4-(trifluoromethyl)benzoic acid

Downstream raw materials:

cis-4-{2-fluoro-4-[(2-{[3-fluoro-4-(trifluoromethyl)benzoyl]amino}ethyl)carbamoyl]phenoxy}cyclohexanecarboxylic acid

4β-O-4'-fluoro-5'-(trifluoromethyl)benzoylsipholenol A

Refernces

• 1、 -. "2-(3-AMINOBENZOYL)-3-CYCLOPROPYL-3-OXOPROPANENITRILES AND THEIR USE AS HERBICIDES". Page/Page column 8. . Retrieved 2011/04/14.