4-Chloro-2-(difluoromethyl)benzotrifluoride

Base Information

• Chemical Name: 4-Chloro-2-(difluoromethyl)benzotrifluoride
• CAS No.: 320-85-4
• Molecular Formula: C₈H₄ClF₅
• Molecular Weight: 230.565
• DSSTox Substance ID: DTXSID201209277
• Mol file: 320-85-4.mol

Synonyms:4-CHLORO-2-(DIFLUOROMETHYL)BENZOTRIFLUORIDE;320-85-4;4-chloro-2-(difluoromethyl)-1-(trifluoromethyl)benzene;SCHEMBL10543080;LPHZJJOPSKCPBQ-UHFFFAOYSA-N;DTXSID201209277

Chemical Property of 4-Chloro-2-(difluoromethyl)benzotrifluoride

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.9921686
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(F)F)C(F)(F)F

Technology Process of 4-Chloro-2-(difluoromethyl)benzotrifluoride

There total 1 articles about 4-Chloro-2-(difluoromethyl)benzotrifluoride 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:

α1,α1,α1,α1,α1,α1-4-Hexachlor-o-xylol (52042-58-7) → 4-chloro-2-difluoromethyl-1-trifluoromethyl-benzene (320-85-4)

Guidance literature:

With hydrogen fluoride;

Reference yield:

4-chloro-2-difluoromethyl-1-trifluoromethyl-benzene (320-85-4) → 5-chloro-2-trifluoromethylbenzoic acid chloride (320-84-3)

Guidance literature:

Multi-step reaction with 2 steps

2: chlorine

With chlorine;

Reference yield:

4-chloro-2-difluoromethyl-1-trifluoromethyl-benzene (320-85-4) → 4-chloro-2-(chloro-difluoro-methyl)-1-trifluoromethyl-benzene (320-28-5)

Guidance literature:

With chlorine;

upstream raw materials:

α¹,α¹,α¹,α¹,α¹,α¹-4-Hexachlor-o-xylol

Downstream raw materials:

5-chloro-2-(trifluoromethyl)benzaldehyde

4-chloro-2-(chloro-difluoro-methyl)-1-trifluoromethyl-benzene

5-chloro-2-trifluoromethylbenzoic acid chloride