4-(Trifluoromethylsulfonyl)phenol

Base Information

• Chemical Name: 4-(Trifluoromethylsulfonyl)phenol
• CAS No.: 432-84-8
• Molecular Formula: C7H5F3O3S
• Molecular Weight: 226.176
• Hs Code.: 2908999090
• European Community (EC) Number: 965-325-0
• ChEMBL ID: CHEMBL305981
• DSSTox Substance ID: DTXSID60564754
• Nikkaji Number: J2.297.169G
• Wikidata: Q82449574
• Mol file: 432-84-8.mol

Synonyms:432-84-8;4-(Trifluoromethylsulfonyl)phenol;4-[(trifluoromethyl)sulfonyl]phenol;4-[(Trifluoromethyl)sulphonyl]phenol;4-(trifluoromethanesulfonyl)phenol;4-trifluoromethanesulfonylphenol;4-Trifluoromethanesulfonyl-phenol;4-((Trifluoromethyl)sulfonyl)phenol;MFCD22053286;SCHEMBL517721;4-trifluoromethylsulphonylphenol;p-trifluoromethylsulfonyl phenol;CHEMBL305981;DTXSID60564754;4-(trifluoromethylsulfonyl)-phenol;AKOS016026878;4-Hydroxyphenyl trifluoromethyl sulphone;NS-02839;EN300-209287;AS-813/43501854

Chemical Property of 4-(Trifluoromethylsulfonyl)phenol

Chemical Property:

• Melting Point: 119-120 °C(Solv: water (7732-18-5))
• Boiling Point: 312.0±42.0 °C(Predicted)
• PKA: 6.48±0.13(Predicted)
• PSA: 62.75000
• Density: 1.548±0.06 g/cm3(Predicted)
• LogP: 2.76650
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.99114968
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

4-[(Trifluoromethyl)sulphonyl]phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)C(F)(F)F

Technology Process of 4-(Trifluoromethylsulfonyl)phenol

There total 8 articles about 4-(Trifluoromethylsulfonyl)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: 85.0%

(4-trifluoromethylthio)phenol (461-84-7) → 4-Hydroxyphenyltrifluoromethylsulphone (432-84-8)

Guidance literature:

With ruthenium trichloride; sodium periodate; In water; 1,2-dichloro-ethane; acetonitrile; at 20 ℃; for 22h; Cooling with ice;

Reference yield:

1-nitro-4-(trifluoromethylsulfonyl)benzene (432-87-1) → p-fluorophenyl trifluoromethyl sulfone (944-30-9) + 4-Hydroxyphenyltrifluoromethylsulphone (432-84-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/S0022-1139(00)80343-7

Reference yield:

4-chlorophenyl trifluoromethyl sulfide (407-16-9) → p-fluorophenyl trifluoromethyl sulfone (944-30-9) + 4-Hydroxyphenyltrifluoromethylsulphone (432-84-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/S0022-1139(00)80343-7

upstream raw materials:

1-nitro-4-(trifluoromethylsulfonyl)benzene

4-chlorophenyl trifluoromethyl sulfide

p-nitrobenzene iodide

p-nitrophenyl trifluoromethyl sulfide

Downstream raw materials:

2,6-dibromo-4-trifluoromethanesulfonyl-phenol

1-methyl-3-[3-methyl-4-(4-trifluoromethanesulfonylphenoxy)phenyl]-1,3,5-triazinane-2,4,6-trione

3-ethylsulfonyl-N-[2-hydroxy-5-(trifluoromethylsulfonyl)phenyl]picolinamide

2-amino-4-((trifluoromethyl)sulfonyl)phenol

Refernces

• 1、 -. "METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLSULFONYL)PHENOL COMPOUND". Paragraph 0048; 0049; 0050; 0051; 0052; 0054; 0055; 0060. . Retrieved 2018/07/29.
• 2、 -. "NOVEL SILANE COMPOUND HAVING SULFONE STRUCTURE". Paragraph 0121. . Retrieved 2017/01/26.