But-2-Enedioic Acid; 2-[4-[3-[2-(Trifluoromethyl)Phenothiazin-10-Yl]Propyl]Piperazin-1-Yl]Ethyl 2-(4-Chlorophenoxy)-2-Methylpropanoate
[CAS# 76674-42-5]

Identification

• Name: But-2-Enedioic Acid; 2-[4-[3-[2-(Trifluoromethyl)Phenothiazin-10-Yl]Propyl]Piperazin-1-Yl]Ethyl 2-(4-Chlorophenoxy)-2-Methylpropanoate
• Synonyms: But-2-Enedioic Acid; 2-[4-[3-[2-(Trifluoromethyl)Phenothiazin-10-Yl]Propyl]Piperazin-1-Yl]Ethyl 2-(4-Chlorophenoxy)-2-Methyl-Propanoate; But-2-Enedioic Acid; 2-(4-Chlorophenoxy)-2-Methylpropanoic Acid 2-[4-[3-[2-(Trifluoromethyl)-10-Phenothiazinyl]Propyl]-1-Piperazinyl]Ethyl Ester; But-2-Enedioic Acid; 2-(4-Chlorophenoxy)-2-Methyl-Propionic Acid 2-[4-[3-[2-(Trifluoromethyl)Phenothiazin-10-Yl]Propyl]Piperazin-1-Yl]Ethyl Ester
• Molecular Formula: C₄₀H₄₃ClF₃N₃O₁₁S
• Molecular Weight: 866.30
• CAS Registry Number: 76674-42-5
• SMILES: C1=C(C(F)(F)F)C=CC2=C1N(C3=C(S2)C=CC=C3)CCCN4CCN(CC4)CCOC(=O)C(OC5=CC=C(Cl)C=C5)(C)C.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C32H35ClF3N3O3S.2C4H4O4/c1-31(2,42-25-11-9-24(33)10-12-25)30(40)41-21-20-38-18-16-37(17-19-38)14-5-15-39-26-6-3-4-7-28(26)43-29-13-8-23(22-27(29)39)32(34,35)36;2*5-3(6)1-2-4(7)8/h3-4,6-13,22H,5,14-21H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: QDBAIXFFTQGCFL-LVEZLNDCSA-N

Properties

• Boiling point: 702.3°C at 760 mmHg (Cal.)
• Flash point: 378.5°C (Cal.)