trichloroscandium hexahydrate

• ChemBase ID: 149169
• Molecular Formular: Cl3H12O6Sc
• Molecular Mass: 259.40659
• Monoisotopic Mass: 257.92585804
• SMILES: O.O.O.O.O.O.Cl[Sc](Cl)Cl
• Canonical SMILES: Cl[Sc](Cl)Cl.O.O.O.O.O.O
• InChI: InChI=1S/3ClH.6H2O.Sc/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
• InChIKey: FKZFOHABAHJDIK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroscandium hexahydrate
• IUPAC Traditional name: scandium chloride hexahydrate
• Synonyms: Scandium(III) chloride hexahydrate; 三氯化钪 六水合物

Database IDs

• CAS Number: 20662-14-0
• EC Number: 233-799-1
• MDL Number: MFCD00149852
• PubChem SID: 24868616; 162243337
• PubChem CID: 71311389

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: 9.754273 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 63-66 °C(lit.)

Safety Information

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

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: ScCl3 · 6H2O

DETAILS

Sigma Aldrich - 451274

Packaging
1 g in glass bottle