yttrium(3+) ion tris(nitrooxidane) hexahydrate

• ChemBase ID: 111551
• Molecular Formular: H12N3O15Y
• Molecular Mass: 383.01223
• Monoisotopic Mass: 382.9326897
• SMILES: O.O.O.O.O.O.[Y+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.O.[Y+3]
• InChI: InChI=1S/3NO3.6H2O.Y/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
• InChIKey: QBAZWXKSCUESGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: yttrium(3+) ion tris(nitrooxidane) hexahydrate; yttrium(3+) ion hexahydrate trinitrate
• IUPAC Traditional name: yttrium(3+) hexahydrate trinitronate; yttrium(3+) ion hexahydrate trinitrate
• Synonyms: YTTRIUM NITRATE; Yttrium(III) nitrate hexahydrate; 硝酸钇(III) 六水合物; 六水合硝酸钇(III)

Database IDs

• CAS Number: 13494-98-9
• EC Number: 233-802-6; 231-174-8
• MDL Number: MFCD00149940
• Merck Index: 1410107
• PubChem SID: 24854279; 162097160; 24846671
• PubChem CID: 166833

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

• Apperance: Crystalline; crystals and lumps
• Melting Point: 83°C
• Density: 2.68 g/ml; 2.682 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: ZG3750000
• 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: 8-36/37/38; R:8-36/37/38
• Safety Statements: 17-26-36/37/39; 17-26-37-60; S:17-20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338; 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: 99.8% trace metals basis; 99.9%; 99.9% (REO); 99-102% (calc. to loss on ignition)
• Grade: SAJ special grade
• Compostion: Y(NO3)3, ≥71.0%
• Ignition Residue: 28-32%
• Linear Formula: Y(NO3)3 · 6H2O

DETAILS

MP Biomedicals - 05219827

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 237957

Application
Precursor of nanoscale coatings of carbon composites.1
Source of yttrium used to make yttrium-based surfactant mesophases which are promising as adsorbing agents as well as for optically functional species.
Other Notes
Hydration may vary slightly
Packaging
25, 100, 500 g in glass bottle