4-Fluoro-3-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethyl)benzoyl chloride
• CAS No.: 67515-56-4
• Molecular Formula: C8H3ClF4O
• Molecular Weight: 226.558
• Hs Code.: 29163990
• European Community (EC) Number: 623-539-9
• DSSTox Substance ID: DTXSID40217857
• Wikidata: Q72477362
• Mol file: 67515-56-4.mol

Synonyms:4-Fluoro-3-(trifluoromethyl)benzoyl chloride;67515-56-4;4-fluoro-3-(trifluoromethyl)benzoylchloride;4-Fluoro-3-(trifluoromethyl)benzoul chloride;Benzoyl chloride, 4-fluoro-3-(trifluoromethyl)-;4-fluoro-3-trifluoromethyl-benzoyl chloride;alpha,alpha,alpha,4-Tetrafluoro-m-toluoyl Chloride;SCHEMBL759728;DTXSID40217857;MFCD00061159;AKOS009158608;AM61646;PS-10739;4-fluoro-3-trifluoromethylbenzoyl chloride;4-Fluoro-5-trifluoromethylbenzoyl chloride;4-Fluoro-3-trifluoromethyl benzoyl chloride;F0659;FT-0618471;A835784;4-Fluoro-3-(trifluoromethyl)benzoyl chloride, 98%

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

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.291mmHg at 25°C
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 202.5 °C at 760 mmHg
• Flash Point: 76.3 °C
• PSA: 17.07000
• Density: 1.475 g/cm³
• LogP: 3.22350
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Moisture Sensitive
• 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% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 4-Fluoro-3-(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:

4-fluoro-3-(trifluoromethyl)benzoic acid (67515-55-3) → 4-fluoro-3-trifluoromethylbenzoyl chloride (67515-56-4)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; toluene;

Reference yield: 100.0%

5-amino-2-methylindole (7570-49-2) + 4-fluoro-3-trifluoromethylbenzoyl chloride (67515-56-4) → 4-fluoro-N-(2-methyl-1H-indol-5-yl)-3-trifluoromethyl-benzamide (869188-27-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 98.0%

4-bromo-2,6-dimethylphenylamine (24596-19-8) + 4-fluoro-3-trifluoromethylbenzoyl chloride (67515-56-4) → C16H12BrF4NO

Guidance literature:

With pyridine; In chloroform; at 25 ℃; for 16h; Inert atmosphere;

upstream raw materials:

4-fluoro-3-(trifluoromethyl)benzoic acid

Downstream raw materials:

4-fluoro-3-trifluoromethylphenyl 2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone

6-benzyloxy-2-(dimethylamino)benzo[b]thiophen-3-yl 4-fluoro-3-(trifluoromethyl)phenyl ketone

{2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-3-trifluoromethyl-phenyl]-methanone