trichloroscandium hydrate

• ChemBase ID: 145053
• Molecular Formular: Cl3H2OSc
• Molecular Mass: 169.33019
• Monoisotopic Mass: 167.87303462
• SMILES: O.Cl[Sc](Cl)Cl
• Canonical SMILES: Cl[Sc](Cl)Cl.O
• InChI: InChI=1S/3ClH.H2O.Sc/h3*1H;1H2;/q;;;;+3/p-3
• InChIKey: UJMNPKCPAGGCBI-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroscandium hydrate
• IUPAC Traditional name: scandium chloride hydrate
• Synonyms: Scandium(III) chloride hydrate; Scandium trichloride hydrate; 氯化钪(III) 水合物

Database IDs

• CAS Number: 25813-71-2
• EC Number: 233-799-1
• MDL Number: MFCD00149851
• PubChem SID: 24858632; 24853752; 162239263
• PubChem CID: 16211625

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

Safety Information

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

Product Information

• Purity: 99.9%; 99.99%
• Compostion: Degree of hydration, 5-7
• Linear Formula: ScCl3·xH2O

DETAILS

Sigma Aldrich - 307858

Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Prins cyclization reactions1

Sigma Aldrich - 229849

Packaging
1 g in glass bottle
Application
Catalyst for:
• Prins cyclization reactions1