trichlorolanthanum hydrate

• ChemBase ID: 149424
• Molecular Formular: Cl3H2LaO
• Molecular Mass: 263.27978
• Monoisotopic Mass: 261.82347572
• SMILES: O.Cl[La](Cl)Cl
• Canonical SMILES: Cl[La](Cl)Cl.O
• InChI: InChI=1S/3ClH.La.H2O/h3*1H;;1H2/q;;;+3;/p-3
• InChIKey: NUXZAAJDCYMILL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichlorolanthanum hydrate
• IUPAC Traditional name: lanthanum(III) chloride hydrate
• Synonyms: Lanthanum(III) chloride hydrate; 氯化镧(III) 水合物

Database IDs

• CAS Number: 20211-76-1
• MDL Number: MFCD00149753
• PubChem SID: 24852697; 162243589; 24882146
• PubChem CID: 16211539

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9035
• LogD (pH = 7.4): 1.9035
• Log P: 1.9035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 12.848276 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: 92-93 °C(lit.)

Safety Information

• RTECS: OE4375000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

• Purity: ≥98.5% (calc. based on dry substance, AT); 99.9% trace metals basis
• Compostion: Degree of hydration, ~6
• Impurities: ~7 mol/mol water
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤10 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤10 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Linear Formula: LaCl3 · xH2O

DETAILS

Sigma Aldrich - 211605

Packaging
100, 500 g in poly bottle