hafnium(4+) ion tetrakis(3-(prop-2-enoyloxy)propanoate)

• ChemBase ID: 141164
• Molecular Formular: C24H28HfO16
• Molecular Mass: 750.95952
• Monoisotopic Mass: 752.08428482
• SMILES: C=CC(=O)OCCC(=O)[O-].C=CC(=O)OCCC(=O)[O-].C=CC(=O)OCCC(=O)[O-].C=CC(=O)OCCC(=O)[O-].[Hf+4]
• Canonical SMILES: C=CC(=O)OCCC(=O)[O-].C=CC(=O)OCCC(=O)[O-].C=CC(=O)OCCC(=O)[O-].C=CC(=O)OCCC(=O)[O-].[Hf+4]
• InChI: InChI=1S/4C6H8O4.Hf/c4*1-2-6(9)10-4-3-5(7)8;/h4*2H,1,3-4H2,(H,7,8);/q;;;;+4/p-4
• InChIKey: FGZZWYGTQYZLSX-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: hafnium(4+) ion tetrakis(3-(prop-2-enoyloxy)propanoate)
• IUPAC Traditional name: hafnium(4+) ion tetrakis(3-(prop-2-enoyloxy)propanoate)
• Synonyms: Hafnium carboxyethyl acrylate; 羧乙基丙烯酸铪

Database IDs

• PubChem SID: 162235399
• PubChem CID: 71310572

CALCULATED PROPERTIES

• Acid pKa: 4.101141
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7854834
• LogD (pH = 7.4): -2.471051
• Log P: 0.62717074
• Molar Refractivity: 43.6816 cm^3
• Polarizability: 12.829872 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 120 °F; 49 °C
• Density: 1.154 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1120
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-22-37/38-41-67
• Safety Statements: 13-26-37/39-46-7/9
• RID/ADR: UN 1120 3/PG 3

Product Information

• Concentration: 60% in 1-butanol
• Contains: 500 ppm methyl hydroquinone as inhibitor
• Linear Formula: Hf(CH2CHCO2(CH2)2CO2)4

DETAILS

Sigma Aldrich - 686220

Application
Hafnium-containing multifunctional acrylate useful for producing cured, transparent films with high refractive indices.
Please see product no. 686204 for additional application and usage information (Aldrich Technical Bulletin AL-238 )
Packaging
25 g in glass bottle