3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid

Base Information

• Chemical Name: 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid
• CAS No.: 915402-00-5
• Molecular Formula: C8H8BF3O2S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10590220
• Wikidata: Q82483938
• Mol file: 915402-00-5.mol

Synonyms:915402-00-5;3-(2,2,2-TRIFLUOROETHYLTHIO)-BENZENEBORONIC ACID;(3-((2,2,2-Trifluoroethyl)thio)phenyl)boronic acid;{3-[(2,2,2-Trifluoroethyl)sulfanyl]phenyl}boronic acid;starbld0019070;3-(2,2,2-Trifluoroethyl thio)phenylboronic acid;SCHEMBL15329844;DTXSID10590220;DB-293419;3-(2,2,2-Trifluoroethyl thio)-phenylboronic acid

Chemical Property of 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid

Chemical Property:

• PSA: 65.76000
• LogP: 1.02080
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 236.0290153
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

3-(2,2,2-TRIFLUOROETHYLTHIO)-BENZENEBORONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)SCC(F)(F)F)(O)O

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