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13494-98-9

Basic Information
CAS No.: 13494-98-9
Name: Nitric acid,yttrium(3+) salt, hexahydrate (8CI,9CI)
Molecular Structure:
Molecular Structure of 13494-98-9 (Nitric acid,yttrium(3+) salt, hexahydrate (8CI,9CI))
Formula: YN3O9.6H2O
Molecular Weight: 383.06
Synonyms: Yttriumnitrate hexahydrate;Yttrium trinitrate hexahydrate;Yttrium(III) nitratehexahydrate;
EINECS: 233-802-6
Density: 2.682 g/mL at 25 °C(lit.)
Melting Point: 51.8°C
Boiling Point: 83 °C at 760 mmHg
Flash Point:
Solubility: Soluble in water.
Appearance: white adhering crystals or crystalline powder
Hazard Symbols: IrritantXi; OxidizingO
Risk Codes: 8-36/37/38
Safety: 17-26-36/37/39
Transport Information: UN 1477 5.1/PG 3
PSA: 262.02000
LogP: 0.46650
Downstream Products
13709-49-4
14286-95-4
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Standards and Recommendations

ACGIH TLV: TWA 1 mg(Y)/m3

Specification

The Yttrium Nitrate Hexahydrate, with the CAS registry number 13494-98-9 and EINECS registry number 233-802-6, has the systematic name of yttrium nitrate hydrate (1:3:6). It is a kind of white adhering crystals or crystalline powder, and belongs to the following product categories: Metal and Ceramic Science; Salts; Yttrium Salts. And the molecular formula of this chemical is YN3O9.6H2O. What's more, it should be stored at 0-6°C.

The physical properties of Yttrium Nitrate Hexahydrate are as followings: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 66.05 Å2; (11)Enthalpy of Vaporization: 37.72 kJ/mol; (12)Boiling Point: 83 °C at 760 mmHg; (13)Vapour Pressure: 49.8 mmHg at 25°C.

The preparation of Yttrium Nitrate Hexahydrate: Excessive Y2O3 react with hot concentrated nitric acid. After filtration, remove unreacted oxide, then by cooling crystallization, suction filtration and drying, you can get the product.

You can still convert the following datas into molecular structure:
(1)SMILES: [Y+3].O=[N+]([O-])[O-].[O-][N+]([O-])=O.[O-][N+]([O-])=O.O.O.O.O.O.O
(2)InChI: InChI=1/3NO3.6H2O.Y/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
(3)InChIKey: QBAZWXKSCUESGU-UHFFFAOYAY

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 350mg/kg (350mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 141, Pg. 273, 1929.
mouse LDLo subcutaneous 16600mg/kg (16600mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 141, Pg. 273, 1929.