3-Fluoro-5-(trifluoromethyl)phenol

Base Information

• Chemical Name: 3-Fluoro-5-(trifluoromethyl)phenol
• CAS No.: 172333-87-8
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.102
• Hs Code.: 2908199090
• European Community (EC) Number: 671-101-0
• DSSTox Substance ID: DTXSID70372160
• Nikkaji Number: J710.502I
• Wikidata: Q72477492
• Mol file: 172333-87-8.mol

Synonyms:3-Fluoro-5-(trifluoromethyl)phenol;172333-87-8;3-FLUORO-5-TRIFLUOROMETHYLPHENOL;Phenol, 3-fluoro-5-(trifluoromethyl)-;MFCD00061288;3-fluoranyl-5-(trifluoromethyl)phenol;5-fluoro-3-(trifluoromethyl)phenol;SCHEMBL77464;DTXSID70372160;3-fluoro-5-trifluoromethyl-phenol;CL8491;AKOS006229789;CS-W017230;AS-46037;SY101091;FT-0643650;5-Fluoro-alpha,alpha,alpha-trifluoro-m-cresol;EN300-342393;A807765;A811405;A936225

Chemical Property of 3-Fluoro-5-(trifluoromethyl)phenol

Chemical Property:

• Vapor Pressure: 0.568mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 183.3 °C at 760 mmHg
• PKA: 7.97±0.10(Predicted)
• Flash Point: 64.7 °C
• PSA: 20.23000
• Density: 1.434g/cm³
• LogP: 2.55010
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 180.01982740
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-5-(trifluoromethyl)phenol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)F)C(F)(F)F

Technology Process of 3-Fluoro-5-(trifluoromethyl)phenol

There total 1 articles about 3-Fluoro-5-(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:

→ 3-fluoro-5-(trifluoromethyl)phenol (172333-87-8)

Guidance literature:

Reference yield: 87.0%

benzyl bromide (100-39-0) + 3-fluoro-5-(trifluoromethyl)phenol (172333-87-8) → 1-(benzyloxy)-3-fluoro-5-(trifluoromethyl)benzene

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 4h; Time;

Reference yield: 83.0%

allyl bromide (106-95-6) + 3-fluoro-5-(trifluoromethyl)phenol (172333-87-8) → 1-(allyloxy)-3-fluoro-5-(trifluoromethyl)benzene (1629184-66-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 23 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.201402098

Downstream raw materials:

5-fluoro-2-nitro-3-(trifluoromethyl)phenol

N-methyl-3-fluoro-5-trifluoromethylphenyl carbamate

4-{2-[4-(3-fluoro-5-trifluoromethyl-phenoxy)-piperidin-1-yl]-2-oxo-ethylamino}-2-methyl-2H-pyridazin-3-one

1-fluoro-3-(3-(methylsulfonyl)propoxy)-5-(trifluoromethyl)benzene