bis(acetyloxy)lanthanio acetate hydrate

• ChemBase ID: 147357
• Molecular Formular: C6H11LaO7
• Molecular Mass: 334.05284
• Monoisotopic Mass: 333.95683069
• SMILES: CC(=O)O[La](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[La](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.La.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: YRKCZRMEPGLHRN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)lanthanio acetate hydrate
• IUPAC Traditional name: acetic acid, lanthanum(3) salt hydrate
• Synonyms: Lanthanum(III) acetate hydrate; 乙酸镧(III) 水合物

Database IDs

• CAS Number: 100587-90-4
• EC Number: 213-034-8
• MDL Number: MFCD00150118
• Beilstein Number: 3693604
• PubChem SID: 24858490; 162241546; 24878581
• PubChem CID: 71311272

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1701
• LogD (pH = 7.4): -0.1701
• Log P: -0.1701
• Molar Refractivity: 35.1483 cm^3
• Polarizability: 20.509996 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline powder

Safety Information

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

Product Information

• Purity: ≥99.99% trace metals basis; 99.9% trace metals basis
• Compostion: Degree of hydration, ≤2
• Linear Formula: La(CH3CO2)3 · xH2O

DETAILS

Sigma Aldrich - 306339

Packaging
100, 500 g in poly bottle
Application
Used in the synthesis of a novel phenolate-bridged dilanthanum(III) complex which has potential as a model for metalloproteins as well as in basic and applied chemistry.1

Sigma Aldrich - 542083

Packaging
5, 25 g in glass bottle