3-(Trifluoromethoxy)benzoyl fluoride

Base Information

• Chemical Name: 3-(Trifluoromethoxy)benzoyl fluoride
• CAS No.: 658-90-2
• Molecular Formula: C8H4 F4 O2
• Molecular Weight: 208.112
• European Community (EC) Number: 211-526-7
• DSSTox Substance ID: DTXSID2060961
• Nikkaji Number: J205.953C
• Wikidata: Q81989241
• Mol file: 658-90-2.mol

Synonyms:3-(Trifluoromethoxy)benzoyl fluoride;658-90-2;Benzoyl fluoride, 3-(trifluoromethoxy)-;EINECS 211-526-7;DTXSID2060961;SCHEMBL10561497;MFCD00040833

Chemical Property of 3-(Trifluoromethoxy)benzoyl fluoride

Chemical Property:

• Vapor Pressure: 1.17mmHg at 25°C
• Boiling Point: 175°C at 760 mmHg
• Flash Point: 58.5°C
• PSA: 26.30000
• Density: 1.384g/cm³
• LogP: 2.69490
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 208.01474201
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

3-(TRIFLUOROMETHOXY)BENZOYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethoxy)benzoyl fluoride

There total 2 articles about 3-(Trifluoromethoxy)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:

3-Trichlormethoxy-benzoesaeure-chlorid (39161-76-7) → 3-(trifluoromethoxy)benzoyl fluoride (658-90-2)

Guidance literature:

With antimonypentachloride; antimony(III) fluoride;

DOI:10.1021/jm00270a019

Reference yield:

→ 3-(trifluoromethoxy)benzoyl fluoride (658-90-2)

Guidance literature:

3-Trifluormethoxy-benzoesaeure-chlorid, SbF3 u. SbF5;

Reference yield:

3-(trifluoromethoxy)benzoyl fluoride (658-90-2) → 3-(trifluoromethoxy)benzaldehyde (52771-21-8,50823-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: Pb(OAc)4 / pyridine

With lead(IV) acetate; lithium aluminium tetrahydride; In pyridine; diethyl ether;

DOI:10.1021/jm00270a019

upstream raw materials:

3-Trichlormethoxy-benzoesaeure-chlorid

Downstream raw materials:

[3-(trifluoromethoxy)phenyl]methanol

3-(trifluoromethoxy)benzaldehyde

Refernces