2,3-Dihydroxypropyl 2-[[8-[(Trifluoromethyl)Thio]-4-Quinolyl]Amino]Benzoate Hydrochloride
[CAS# 54494-56-3]

Identification

• Name: 2,3-Dihydroxypropyl 2-[[8-[(Trifluoromethyl)Thio]-4-Quinolyl]Amino]Benzoate Hydrochloride
• Synonyms: 2,3-Dihydroxypropyl 2-[[8-(Trifluoromethylsulfanyl)-4-Quinolyl]Amino]Benzoate Hydrochloride; 2-[[8-(Trifluoromethylthio)-4-Quinolyl]Amino]Benzoic Acid 2,3-Dihydroxypropyl Ester Hydrochloride; 2-[[8-(Trifluoromethylthio)-4-Quinolyl]Amino]Benzoic Acid Glyceryl Ester Hydrochloride
• Molecular Formula: C₂₀H₁₈ClF₃N₂O₄S
• Molecular Weight: 474.88
• CAS Registry Number: 54494-56-3
• EINECS: 259-186-9
• SMILES: [H+].C1=CC=C(SC(F)(F)F)C2=NC=CC(=C12)NC3=CC=CC=C3C(OCC(O)CO)=O.[Cl-]
• InChI: 1S/C20H17F3N2O4S.ClH/c21-20(22,23)30-17-7-3-5-13-16(8-9-24-18(13)17)25-15-6-2-1-4-14(15)19(28)29-11-12(27)10-26;/h1-9,12,26-27H,10-11H2,(H,24,25);1H
• InChIKey: WSGIELNUOPWZOB-UHFFFAOYSA-N

Properties

• Boiling point: 574.5°C at 760 mmHg (Cal.)
• Flash point: 301.3°C (Cal.)