3-Chloro-2-(trifluoromethyl)phenol

Base Information

• Chemical Name: 3-Chloro-2-(trifluoromethyl)phenol
• CAS No.: 106877-34-3
• Molecular Formula: C₇H₄ClF₃O
• Molecular Weight: 196.556
• Hs Code.: 2908990000
• DSSTox Substance ID: DTXSID801296199
• Mol file: 106877-34-3.mol

Synonyms:3-CHLORO-2-(TRIFLUOROMETHYL)PHENOL;106877-34-3;PHENOL, 3-CHLORO-2-(TRIFLUOROMETHYL)-;SCHEMBL9259048;WIMFOMTYQPDJBK-UHFFFAOYSA-N;DTXSID801296199;CL9363;MFCD17000111;AKOS027253454;MB25586;AS-46309;CS-0101994

Chemical Property of 3-Chloro-2-(trifluoromethyl)phenol

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 195.9902769
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2-(trifluoromethyl)phenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Chloro-2-(trifluoromethyl)phenol

There total 1 articles about 3-Chloro-2-(trifluoromethyl)phenol 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: 17.0%

3-monochlorophenol (108-43-0) + Bromotrifluoromethane (75-63-8) → 2-chloro-4-hydroxybenzotrifluoride (37900-81-5) + 5-chloro-2-trifluoromethylphenol (106877-35-4) + 3-chloro-2-(trifluoromethyl)phenol (106877-34-3)

Guidance literature:

With α-picoline; sodium metabisulfite; sulfur dioxide; zinc; In N,N-dimethyl-formamide; at 60 ℃; for 4h; under 2250.2 - 3750.3 Torr;

Reference yield:

tert-butyl 3-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate (114214-70-9) + 3-chloro-2-(trifluoromethyl)phenol (106877-34-3) → C17H21ClF3NO3

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00996

upstream raw materials:

3-monochlorophenol

Bromotrifluoromethane