2-[2-[3-[3-Heptyl-1,5-Dihydro-5-Oxo-1-(2,4,6-Trichlorophenyl)-4H-Pyrazol-4-Ylidene]-1-Propen-1-Yl]Phenoxy]-Acetic Acid
[CAS# 41388-04-9]

Identification

• Name: 2-[2-[3-[3-Heptyl-1,5-Dihydro-5-Oxo-1-(2,4,6-Trichlorophenyl)-4H-Pyrazol-4-Ylidene]-1-Propen-1-Yl]Phenoxy]-Acetic Acid
• Synonyms: 2-[2-[(E,3Z)-3-[3-Heptyl-5-Oxo-1-(2,4,6-Trichlorophenyl)-4-Pyrazolylidene]Prop-1-Enyl]Phenoxy]Acetic Acid; 2-[2-[(E,3Z)-3-[3-Heptyl-5-Keto-1-(2,4,6-Trichlorophenyl)Pyrazol-4-Ylidene]Prop-1-Enyl]Phenoxy]Acetic Acid; 2-[2-[(E,3Z)-3-[3-Heptyl-5-Oxo-1-(2,4,6-Trichlorophenyl)Pyrazol-4-Ylidene]Prop-1-Enyl]Phenoxy]Ethanoic Acid
• Molecular Formula: C₂₇H₂₇Cl₃N₂O₄
• Molecular Weight: 549.88
• CAS Registry Number: 41388-04-9
• EINECS: 255-347-2
• SMILES: C1=C(Cl)C=C(Cl)C(=C1Cl)N2N=C(C(/C2=O)=C/C=C/C3=C(OCC(=O)O)C=CC=C3)CCCCCCC
• InChI: 1S/C27H27Cl3N2O4/c1-2-3-4-5-6-13-23-20(12-9-11-18-10-7-8-14-24(18)36-17-25(33)34)27(35)32(31-23)26-21(29)15-19(28)16-22(26)30/h7-12,14-16H,2-6,13,17H2,1H3,(H,33,34)/b11-9+,20-12-
• InChIKey: BEFLIKKIHRKGLG-NVMDDUPOSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 677.567°C at 760 mmHg (Cal.)
• Flash point: 363.58°C (Cal.)