3-(Trifluoromethyl)benzoyl fluoride

Base Information

• Chemical Name: 3-(Trifluoromethyl)benzoyl fluoride
• CAS No.: 328-99-4
• Molecular Formula: C8H4F4O
• Molecular Weight: 192.113
• Hs Code.: 2916399090
• European Community (EC) Number: 206-340-8
• NSC Number: 93822
• UNII: ZFQ5U94P9E
• DSSTox Substance ID: DTXSID1059816
• Nikkaji Number: J193.754E
• Wikidata: Q27295437
• Mol file: 328-99-4.mol

Synonyms:3-(Trifluoromethyl)benzoyl fluoride;328-99-4;m-Trifluoromethylbenzoyl fluoride;Benzoyl fluoride, 3-(trifluoromethyl)-;m-(Trifluoromethyl)benzoyl fluoride;UNII-ZFQ5U94P9E;ZFQ5U94P9E;EINECS 206-340-8;NSC 93822;NSC-93822;EC 206-340-8;MFCD00018047;3-(Trifluoromethyl)-benzoic acid fluoride;SCHEMBL4854791;3-trifluoromethylbenzoyl fluoride;DTXSID1059816;3-Trifluoromethyl-benzoyl fluoride;NSC93822;AKOS006228589;FT-0613935;m-Toluoyl fluoride,.alpha.,.alpha.-trifluoro-;m-Toluoyl fluoride, alpha,alpha,alpha-trifluoro-;A821505;(2E)-2-[(2,4-dinitrophenyl)hydrazono]acetic acid;Q27295437;m-Toluoyl fluoride, .alpha.,.alpha.,.alpha.-trifluoro-

Chemical Property of 3-(Trifluoromethyl)benzoyl fluoride

Chemical Property:

• Vapor Pressure: 1.34mmHg at 25°C
• Refractive Index: 1.4341
• Boiling Point: 172.3 °C at 760 mmHg
• Flash Point: 62.2 °C
• PSA: 17.07000
• Density: 1.339 g/cm³
• LogP: 2.81510
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.01982740
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

99.9% ^*data from raw suppliers

3-(Trifluoromethyl)benzoyl fluoride 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethyl)benzoyl fluoride

There total 7 articles about 3-(Trifluoromethyl)benzoyl fluoride 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: 99.1%

3-trichloromethylbenzoyl chloride (27428-84-8) → m-(trifluoromethyl)benzoyl fluoride (328-99-4)

Guidance literature:

With hydrogen fluoride; at 70 - 90 ℃; for 11.5h; Autoclave;

Reference yield: 92.0%

→ m-(trifluoromethyl)benzoyl fluoride (328-99-4)

Guidance literature:

Reference yield: 24.0%

3-Trifluoromethylbenzaldehyde (454-89-7) → m-(trifluoromethyl)benzoyl fluoride (328-99-4) + 3-fluoro-5-(trifluoromethyl)benzaldehyde (188815-30-7)

Guidance literature:

With fluorine; In acetonitrile; at 0 ℃; Inert atmosphere;

DOI:10.1021/op700194r

upstream raw materials:

3-trichloromethyl-benzoic acid

3-(trifluoromethyl)benzoic acid

3-Trifluoromethylbenzaldehyde

m-Toluic acid

Downstream raw materials:

1,5-bis-(3-trifluoromethyl-benzoylamino)-anthraquinone

1,4-bis-(3-trifluoromethyl-benzoylamino)-anthraquinone

1,5-dihydroxy-4,8-bis-(3-trifluoromethyl-benzoylamino)-anthraquinone

α,α,α-trifluorotoluene

Refernces

• 1、 -. "Synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate". . . Retrieved 2018/03/01.
• 2、 -. "HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME". Page 12. . Retrieved 2010/02/10.