CAS 13494-98-9 Yttrium (III) nitrate hexahydrate (1:3:6) (HCID 166833)

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Basic information

CAS: 13494-98-9
Standard SMILES: O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Y+3]
InChIKey: QBAZWXKSCUESGU-UHFFFAOYSA-N
Molecular formula: H12N3O15Y
Average molar mass: 383.01 g/mol
Monoisotopic mass: 382.93268998

Overview

See also: Nitric acid, yttrium(3+) salt, hexahydrate (annotation moved to); Yttrium (III) nitrate, hexahydrate (annotation moved to).

Names & identifiers

Preferred name: Yttrium (III) nitrate hexahydrate (1:3:6)
IUPAC: yttrium(3+);trinitrate;hexahydrate
English name: YTTRIUM NITRATE HEXAHYDRATE
Molecular formula: H12N3O15Y
Molecular weight: 383.01

Names & synonyms

Yttrium (III) nitrate hexahydrate (1:3:6)DTXSID00159148RefChem:904730DTXCID5081639677-716-013494-98-9Yttrium(III) nitrate hexahydrateYttrium trinitrate hexahydrateyttrium(3+);trinitrate;hexahydrateMFCD00149940YttriumnitratYttriumnitrat [German]

Show more names

YTTRIUM NITRATEYTTRIUM(III) NITRATEYatiumnitrateYTRRIUM NITRATEYttriumnitrate6H2OYttrium nitrate, 99.99%YTTRIUM NITRATE, HYDROUSYttrium nitrate, 99.998%

Nitric acid, yttrium(3+)salt, hexahydrateH12N3O15Yyttrium (III) nitrate hexahydrateyttrium(3+) hexahydrate trinitronateSCHEMBL235159yttrium(III)nitrate hexahydrateY(NO3)3.6H2OYTTRIUM NITRATE, 99.9%

Database identifiers

CAS: 13494-98-9
PubChem CID: 166833
DTXSID: DTXSID00159148

Properties

Computed structural properties

Topological polar surface area: 195 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 15
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 18.8

Physicochemical properties

Melting point: 51.8 °C · 51.8°C
Density: 2.682 g/mL · 2.682 g/mL at 25 °C(lit.)
bulk density: 1100 kg/m3 · 1100kg/m3
storage temp.: 0 · 0-6°C
solubility: 2304 g/l · 2304g/l
form: Solid
color: White
PH: 3.5 · 3.5 (50g/l, H2O, 20℃)
Water Solubility: Soluble in water.
Sensitive: Hygroscopic
Merck: 14 · 14,10107
Exposure limits: 1 mg/m3NIOSH: · ACGIH: TWA 1 mg/m3NIOSH: IDLH 500 mg/m3; TWA 1 mg/m3
InChI: InChI=1S/3NO3.6H2O.Y/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
InChIKey: QBAZWXKSCUESGU-UHFFFAOYSA-N
SMILES: [N+]([O-])([O-])=O.[N+]([O-])([O-])=O.[N+]([O-])([O-])=O.O.O.O.O.O.O.[Y+3]
CAS DataBase Reference: 13494 · 13494-98-9(CAS DataBase Reference)

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: Yes
rtecs: ZG3750000
ridadr: UN 1477 5.1/PG 3
hs_code: 2846 90 20
Toxicity: LD50 orally in Rabbit: 3890 mg/kg
risk_code: 8-36/37/38
Signal word: Danger
Symbol(GHS): GHS03,GHS07
hazard_code: O,Xi
safety_code: 17-26-36/37/39
hazard_class: 5.1
Storage Class: 13 - Non Combustible Solids
packing_group: III
Hazard statements: H272-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1
Precautionary statements: P264-P280-P261-P271-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Applications · 3 items

DescriptionYttrium Nitrate Hexahydrate is white crystal or powder that can be employed as laboratory reagent, optical glasses, structural cermics, eletrical components, photo-optical material and reusable catalyst in Bignelli reaction for the synthesis of heterocycles such as pyrimidin-2-ones. It can also used in superconducting materials. Besides, it serves as a precursor of nanoscale coatings of carbon composites and source of yttrium is used to make yttrium-based surfactant mesophases which are promising as adsorbing agents as well as for optically functional species.

UsesYttrium Nitrate is applied in ceramics, glass, and electronics. High purity grades are the most important materials for tri-bands Rare Earth phosphors and Yttrium-Iron-Garnets, which are very effective microwave filters. Yttrium Nitrateis a highly water soluble crystalline Yttrium source for uses compatible with nitrates and lower (acidic) pH.

UsesIt is used as a reagent, in optics, ceramics, glass and electronics. It is used in superconducting materials. It has been reported as a reusable catalyst in Bignelli reaction for the synthesis of heterocycles such as pyrimidin-2-ones. It is a powerful catalyst for the synthesis of some supramolecules such as calix[4]resorcinarenes, 1,8-dioxooctahydroxanthenes, 2-amino-4H-chromenes, and several other organic condensation products.