3-(Trifluoromethylthio)phenylacetic acid

Base Information

• Chemical Name: 3-(Trifluoromethylthio)phenylacetic acid
• CAS No.: 239080-04-7
• Molecular Formula: C9H7 F3 O2 S
• Molecular Weight: 236.215
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90380702
• Wikidata: Q82171109
• Mol file: 239080-04-7.mol

Synonyms:239080-04-7;3-(Trifluoromethylthio)phenylacetic acid;2-[3-(trifluoromethylsulfanyl)phenyl]acetic Acid;2-(3-((Trifluoromethyl)thio)phenyl)acetic acid;2-{3-[(trifluoromethyl)sulfanyl]phenyl}acetic acid;SCHEMBL2646892;DTXSID90380702;MFCD00236350;AKOS015853049;JS-4134;3-[(Trifluoromethyl)thio]phenylacetic acid;CS-0449922;2-(3-(trifluoromethylthio)phenyl)acetic acid;2-(3-((Trifluoromethyl)thio)phenyl)aceticacid;3-(Trifluoromethylthio)phenylacetic acid, 97%;EN300-1930151;A816976

Chemical Property of 3-(Trifluoromethylthio)phenylacetic acid

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 249.3°Cat760mmHg
• PKA: 4.13±0.10(Predicted)
• Flash Point: 104.6°C
• PSA: 62.60000
• Density: 1.44g/cm³
• LogP: 2.92560
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 236.01188512
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethylthio)phenylacetic acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SC(F)(F)F)CC(=O)O