3-Chloro-5-fluorothiophenol

Base Information

• Chemical Name: 3-Chloro-5-fluorothiophenol
• CAS No.: 845823-02-1
• Molecular Formula: C6H4ClFS
• Molecular Weight: 162.615
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80373966
• Wikidata: Q82162394
• Mol file: 845823-02-1.mol

Synonyms:3-Chloro-5-fluorothiophenol;845823-02-1;3-chloro-5-fluorobenzenethiol;SCHEMBL13836490;DTXSID80373966;3-chloro-5-fluorobenzene-1-thiol;VIB82302;AKOS006343079;FS-5517;FT-0745854;EN300-673775

Chemical Property of 3-Chloro-5-fluorothiophenol

Chemical Property:

• Boiling Point: 63°C/8.1mm
• PKA: 5.08±0.11(Predicted)
• PSA: 38.80000
• Density: 1.375±0.06 g/cm3(Predicted)
• LogP: 2.76780
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.9706272
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98%min ^*data from raw suppliers

3-CHLORO-5-FLUOROTHIOPHENOL ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1S)Cl)F