2-[4-Oxo-3-[[5-(Trifluoromethyl)-1,3-Benzothiazol-2-Yl]Methyl]-5,6,7,8-Tetrahydrophthalazin-1-Yl]Acetic Acid
[CAS# 140926-49-4]

Identification

• Name: 2-[4-Oxo-3-[[5-(Trifluoromethyl)-1,3-Benzothiazol-2-Yl]Methyl]-5,6,7,8-Tetrahydrophthalazin-1-Yl]Acetic Acid
• Synonyms: 2-[4-Keto-3-[[5-(Trifluoromethyl)-1,3-Benzothiazol-2-Yl]Methyl]-5,6,7,8-Tetrahydrophthalazin-1-Yl]Acetic Acid; 2-[4-Oxo-3-[[5-(Trifluoromethyl)-1,3-Benzothiazol-2-Yl]Methyl]-5,6,7,8-Tetrahydrophthalazin-1-Yl]Ethanoic Acid; 3,4-Dihydro-4-Oxo-5,6-Cyclohexano-3-((5-(Trifluoromethyl)Benzothiazol-2-Yl)Methyl)-1-Pyridazineacetic Acid
• Molecular Formula: C₁₉H₁₆F₃N₃O₃S
• Molecular Weight: 423.41
• CAS Registry Number: 140926-49-4
• SMILES: C4=C3N=C(CN1N=C(C2=C(C1=O)CCCC2)CC(=O)O)SC3=CC=C4C(F)(F)F
• InChI: 1S/C19H16F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h5-7H,1-4,8-9H2,(H,26,27)
• InChIKey: VHPPSROXTVQXDZ-UHFFFAOYSA-N

Properties

• Density: 1.599g/cm³ (Cal.)
• Boiling point: 586.824°C at 760 mmHg (Cal.)
• Flash point: 308.7°C (Cal.)