3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic Acid

Base Information

• Chemical Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic Acid
• CAS No.: 613657-60-6
• Molecular Formula: C14H10 F3 N O4 S
• Molecular Weight: 345.29400
• DSSTox Substance ID: DTXSID80351325
• Wikidata: Q82127656
• Mol file: 613657-60-6.mol

Synonyms:613657-60-6;3-((3-(trifluoromethyl)phenyl)sulfonamido)benzoic acid;3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic Acid;3-(3-TRIFLUOROMETHYLPHENYLSULFONAMIDO)BENZOIC ACID;ST50134595;SCHEMBL22633492;DTXSID80351325;LTXNSYUJJVHELV-UHFFFAOYSA-N;AKOS000805761;SR-01000265664;SR-01000265664-1;Z45636583;F1678-0254

Chemical Property of 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic Acid

Chemical Property:

• Melting Point: 213-214℃
• Boiling Point: 489.9±55.0 °C(Predicted)
• PKA: 3.92±0.10(Predicted)
• PSA: 91.85000
• Density: 1.537±0.06 g/cm3(Predicted)
• LogP: 4.35820
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 345.02826346
• Heavy Atom Count: 23
• Complexity: 529

Purity/Quality:

99% ^*data from raw suppliers

3-[3-(Trifluoromethyl)phenylsulfonamido]benzoic acid, 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)O