5-Hydroxy-3-Methyl-1-(6-Nitro-2-Benzothiazolyl)-1H-Pyrazole-4-Acetic Acid
[CAS# 84968-81-0]

Identification

• Name: 5-Hydroxy-3-Methyl-1-(6-Nitro-2-Benzothiazolyl)-1H-Pyrazole-4-Acetic Acid
• Synonyms: 2-[5-Keto-3-Methyl-1-(6-Nitro-1,3-Benzothiazol-2-Yl)-2H-Pyrazol-4-Yl]Acetic Acid; 2-[3-Methyl-1-(6-Nitro-1,3-Benzothiazol-2-Yl)-5-Oxo-2H-Pyrazol-4-Yl]Ethanoic Acid; 1H-Pyrazole-4-Acetic Acid, 5-Hydroxy-3-Methyl-1-(6-Nitro-2-Benzothiazolyl)-
• Molecular Formula: C₁₃H₁₀N₄O₅S
• Molecular Weight: 334.31
• CAS Registry Number: 84968-81-0
• SMILES: C1=C([N+]([O-])=O)C=CC2=C1SC(=N2)N3NC(=C(C3=O)CC(O)=O)C
• InChI: 1S/C13H10N4O5S/c1-6-8(5-11(18)19)12(20)16(15-6)13-14-9-3-2-7(17(21)22)4-10(9)23-13/h2-4,15H,5H2,1H3,(H,18,19)
• InChIKey: IWAIQFVXTQHMFX-UHFFFAOYSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Boiling point: 639.003°C at 760 mmHg (Cal.)
• Flash point: 340.257°C (Cal.)