lanthanum(3+) ion hydrate tritrifluoromethanesulfonate

• ChemBase ID: 149072
• Molecular Formular: C3H2F9LaO10S3
• Molecular Mass: 604.1281088
• Monoisotopic Mass: 603.77299124
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[La+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.O.[La+3]
• InChI: InChI=1S/3CHF3O3S.La.H2O/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);;1H2/q;;;+3;/p-3
• InChIKey: CTIQOTSXSWQWHG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: lanthanum(3+) ion hydrate tritrifluoromethanesulfonate
• IUPAC Traditional name: lanthanum(3+) ion hydrate tritriflate
• Synonyms: Lanthanum(III) triflate; Lanthanum(III) trifluoromethanesulfonate hydrate; 三氟甲基磺酸镧(III); 三氟甲磺酸镧(III) 水合物

Database IDs

• CAS Number: 34629-21-5
• MDL Number: MFCD00192248
• PubChem SID: 24865310; 162243240
• PubChem CID: 71311383

CALCULATED PROPERTIES

• Acid pKa: -3.4301212
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• Molar Refractivity: 15.8602 cm^3
• Polarizability: 7.460577 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Compostion: Degree of hydration, 8-9
• Linear Formula: (CF3SO3)3La · xH2O

DETAILS

Sigma Aldrich - 405337

Packaging
5 g in glass bottle
Application
Catalyst for synthesis of aziridine1