scandium(3+) ion hydrate trinitrate

• ChemBase ID: 146822
• Molecular Formular: H2N3O10Sc
• Molecular Mass: 248.98589
• Monoisotopic Mass: 248.92993018
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Sc+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.[Sc+3]
• InChI: InChI=1S/3NO3.H2O.Sc/c3*2-1(3)4;;/h;;;1H2;/q3*-1;;+3
• InChIKey: HZQULVNEUCEVQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: scandium(3+) ion hydrate trinitrate
• IUPAC Traditional name: scandium(3+) ion hydrate trinitrate
• Synonyms: Scandium(III) nitrate hydrate; Scandium(III) nitrate hydrate, REacton®; 硝酸钪(III) 水合物; 水合硝酸钪(III), REacton®

Database IDs

• CAS Number: 13465-60-6; 107552-14-7
• EC Number: 236-701-5
• MDL Number: MFCD00149848; MFCD00011220
• Merck Index: 148392
• PubChem SID: 24877708; 24859544; 162241014
• PubChem CID: 60160869

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Freely soluble in water and alcohol
• Apperance: Crystalline; powder and chunks; solid

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1477; UN1477
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2; III
• Risk Statements: 8; 8-36/37/38
• Safety Statements: 17; 17-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272; H272-H315-H319-H335
• GHS Precautionary statements: P220; P221-P210-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1477 5.1/PG 2

Product Information

• Purity: 99.9% (REO); 99.9% trace metals basis; 99.999% trace metals basis
• Compostion: Degree of hydration, ~4
• Linear Formula: Sc(NO3)3·xH2O

DETAILS

Sigma Aldrich - 529788

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 325902

Packaging
1, 5 g in glass bottle