tris(prop-2-enoyloxy)zirconio prop-2-enoate

• ChemBase ID: 141005
• Molecular Formular: C12H12O8Zr
• Molecular Mass: 375.44288
• Monoisotopic Mass: 373.95792134
• SMILES: C=CC(=O)O[Zr](OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C
• Canonical SMILES: C=CC(=O)O[Zr](OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C
• InChI: InChI=1S/4C3H4O2.Zr/c4*1-2-3(4)5;/h4*2H,1H2,(H,4,5);/q;;;;+4/p-4
• InChIKey: CXNQUHPJUJGOHC-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(prop-2-enoyloxy)zirconio prop-2-enoate
• IUPAC Traditional name: tris(prop-2-enoyloxy)zirconio prop-2-enoate
• Synonyms: Zirconium acrylate; 丙烯酸锆

Database IDs

• CAS Number: 60653-57-8
• MDL Number: MFCD00080386
• PubChem SID: 162235241
• PubChem CID: 11728489

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.5832
• LogD (pH = 7.4): 5.5832
• Log P: 5.5832
• Molar Refractivity: 65.4552 cm^3
• Polarizability: 30.100803 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 12

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: Zr(CH2CHCO2)4

DETAILS

Sigma Aldrich - 686239

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