Tris(1-phenylbutane-1,3-dionato-O,O')iron

Base Information

• Chemical Name: Tris(1-phenylbutane-1,3-dionato-O,O')iron
• CAS No.: 14323-17-2
• Molecular Formula: C30H27 Fe O6
• Molecular Weight: 569.4
• Hs Code.: 29310099
• European Community (EC) Number: 238-267-2
• DSSTox Substance ID: DTXSID401015329
• Mol file: 14323-17-2.mol

Synonyms:14323-17-2;Tris(1-phenylbutane-1,3-dionato-O,O')iron;iron(3+);(Z)-3-oxo-1-phenylbut-1-en-1-olate;EINECS 238-267-2;Iron, tris(1-phenyl-1,3-butanedionato-kappaO,kappaO')-;Iron, tris(1-phenyl-1,3-butanedionato-kappaO1,kappaO3)-;Iron, tris(1-phenyl-1,3-butanedionato-.kappa.O,.kappa.O')-;Iron, tris(1-phenyl-1,3-butanedionato-O,O')-;C30H27FeO6;C30-H27-Fe-O6;DTXSID401015329

Chemical Property of Tris(1-phenylbutane-1,3-dionato-O,O')iron

Chemical Property:

• Melting Point: 216 °C
• Boiling Point: 315.5°Cat760mmHg
• Flash Point: 133.7°C
• PSA: 88.13000
• Density: g/cm³
• LogP: 6.26380
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 539.115699
• Heavy Atom Count: 37
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Iron BZACAC 98% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Organic Acids, Metal Salts
• Canonical SMILES: CC(=O)C=C(C1=CC=CC=C1)[O-].CC(=O)C=C(C1=CC=CC=C1)[O-].CC(=O)C=C(C1=CC=CC=C1)[O-].[Fe+3]
• Isomeric SMILES: CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Fe+3]