2,6-Bis(trifluoromethyl)benzoic acid fluoride

Base Information

• Chemical Name: 2,6-Bis(trifluoromethyl)benzoic acid fluoride
• CAS No.: 24821-24-7
• Molecular Formula: C9H3F7O
• Molecular Weight: 260.111
• DSSTox Substance ID: DTXSID501263743
• Nikkaji Number: J857.040J
• Mol file: 24821-24-7.mol

Synonyms:2,6-Bis(trifluoromethyl)benzoic acid fluoride;Benzoyl fluoride, 2,6-bis(trifluoromethyl)-;24821-24-7;SCHEMBL2886248;GTPOHGHGTXVZGX-UHFFFAOYSA-N;DTXSID501263743

Chemical Property of 2,6-Bis(trifluoromethyl)benzoic acid fluoride

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 260.00721185
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,6-Bis(trifluoromethyl)benzoic acid fluoride

There total 5 articles about 2,6-Bis(trifluoromethyl)benzoic acid 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: 100.0%

→ 2,6-bis(trifluoromethyl)benzoyl fluoride (24821-24-7)

Guidance literature:

Reference yield: 78.5%

2,6-bis(trifluoromethyl)benzoic acid (24821-22-5) → 2,6-bis(trifluoromethyl)benzoyl fluoride (24821-24-7)

Guidance literature:

With sulfur tetrafluoride; at 90 ℃; for 20h;

DOI:10.1016/S0040-4020(98)00362-7

Reference yield:

benzene-1,2,3-tricarboxlic acid (569-51-7) → 2,6-bis(trifluoromethyl)benzoyl fluoride (24821-24-7)

Guidance literature:

With sulfur tetrafluoride; at 150 - 175 ℃;

upstream raw materials:

benzene-1,2,3-tricarboxlic acid

2,6-bis(trifluoromethyl)benzoic acid

1,3-bis(trifluoromethyl)benzene

Downstream raw materials:

2,6-Bis-trifluormethyl-acetanilid

2,6-bis-trifluoromethyl-aniline

1,3-bis(trifluoromethyl)benzene

(2,6-bis(trifluoromethyl)phenyl)methanol