Thallium(1+) (2Z)-4-Oxo-2-Penten-2-Olate
[CAS# 25955-51-5]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic scandium, tantalum, thallium, tungsten, antimony, lanthanum, lead, vanadium, molybdenum, chromium, ytterbium, etc.
• Name: Thallium(1+) (2Z)-4-Oxo-2-Penten-2-Olate
• Synonyms: (Pentane-2,4-dionato-O,O')thallium; 2,4-Pentanedione thallium(I) derivative; 3-penten-2-one, 4-hydroxy-, thallium(1+) salt, (3Z)- (1:1)
• Molecular Formula: C₅H₇O₂Tl
• Molecular Weight: 303.49
• CAS Registry Number: 25955-51-5
• SMILES: C/C(=C/C(=O)C)/[O-].[Tl+]
• InChI: 1S/C5H8O2.Tl/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-
• InChIKey: QGQYKYKTENVDSC-LNKPDPKZSA-M

Properties

• Melting point: 134°C (Expl.)
• Refractive index: (Cal.)

Safety Data

• Safety Code: S13;S28;S45;S61
• Risk Code: R26/28;R33;R51/53
• Hazard Symbol: T;N
• Transport Information: UN1707
• Safety Description: DANGER: POISON, causes CNS injury, birth defects, irritation

References

• (1): Alberto Fernández, Esther Pereira, Jesús J. Fernández, Margarita López-Torres, Antonio Suárez, Roberto Mosteiro, M. Teresa Pereira and José M. Vila. Sterically controlled reactivity of palladium(ii) tetranuclear cyclometallated complexes. Crystal and molecular structure of the novel tetranuclear compound [Pd{1,3-[C(H)?NCHCHO]CH}(µ-Cl)(Cl)(PPh)], New J. Chem., 2002, 26, 895.