3-(Trifluoromethoxy)thiophenol

Base Information

• Chemical Name: 3-(Trifluoromethoxy)thiophenol
• CAS No.: 220239-66-7
• Molecular Formula: C7H5F3OS
• Molecular Weight: 194.177
• Hs Code.: 29349990
• European Community (EC) Number: 642-495-1
• DSSTox Substance ID: DTXSID00380490
• Wikidata: Q82170725
• Mol file: 220239-66-7.mol

Synonyms:3-(Trifluoromethoxy)thiophenol;3-(trifluoromethoxy)benzenethiol;220239-66-7;3-trifluoromethoxythiophenol;3-(trifluoromethoxy)benzene-1-thiol;Benzenethiol, 3-(trifluoromethoxy)-;MFCD01320799;SCHEMBL159683;3-(trifluoromethoxy)benzene thiol;DTXSID00380490;3-(trifluoromethyloxy)benzenethiol;QFDFCLPLEHANEA-UHFFFAOYSA-N;AMY14467;AKOS006227993;PS-8294;3-(Trifluoromethoxy)thiophenol, AldrichCPR;CS-0081159;FT-0644023;EN300-1931844;A815845

Chemical Property of 3-(Trifluoromethoxy)thiophenol

Chemical Property:

• Vapor Pressure: 1.18mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 181.1 °C at 760 mmHg
• PKA: 5.68±0.10(Predicted)
• Flash Point: 63.3 °C
• PSA: 48.03000
• Density: 1.363 g/cm³
• LogP: 2.87390
• Storage Temp.: Keep Cold
• Sensitive.: Air Sensitive/Stench
• Water Solubility.: Not miscible in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.00132044
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethoxy)thiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-43
• Safety Statements: 23-26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S)OC(F)(F)F
• Uses: 3-(Trifluoromethoxy)thiophenol is used as pharmaceutical intermediate.