CAS 13826-66-9 Zirconyl nitrate (HCID 83761)

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Basic information

CAS: 13826-66-9
Standard SMILES: O=[N+]([O-])O.O=[N+]([O-])O.[O]=[Zr]
InChIKey: UJVRJBAUJYZFIX-UHFFFAOYSA-N
Molecular formula: H2N2O7Zr
Average molar mass: 233.25 g/mol

Names & identifiers

Preferred name: Zirconyl nitrate
IUPAC: bis(nitric acid);oxozirconium
English name: Zirconium dinitrate oxide
Molecular formula: N2O7Zr
Molecular weight: 231.23

Names & synonyms

Zirconium oxynitrateBis(nitrato)oxozirconiumZircosol ZNZirconium oxide dinitrateZirconium, dinitratooxo-Bis(nitrato-O)oxozirconiumDinitratooxozirconiumZirconium, bis(nitrato-O)oxo-Zirconium oxynitrate (ZrO(NO3)2)Zirconium, bis(nitrato-kappaO)oxo-EINECS 237-529-3SYE51KXE8D

Show more names

ZIRCONYL NITRATEzircosolznZirconyl nitratbis(nitric acid)zirconyldinitrateDusicnan zirkonicityZirconyl(IV) nitratedinitratooxo-zirconiu

NSC 148480Zirconium nitrate oxide (ZrO(NO3)2)DTXSID9065659NSC-148480Zirconium, dinitratooxoBis(nitratoO)oxozirconiumRefChem:905361Zirconium, bis(nitratoO)oxo

Database identifiers

CAS: 13826-66-9
PubChem CID: 83761
EC Number: 237-529-3
Nikkaji: J1.409.584E

Properties

Computed structural properties

Topological polar surface area: 149 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 76.8

Experimental & physicochemical properties

Chemical ClassesMetals -> Metals, Inorganic Compounds

Physical Description · 2 items

Liquid; CBI

A solid; [MSDSonline]

Physicochemical properties

Density: 1.45 g/mL · 1.45 g/mL at 25 °C
form: liquid
Specific Gravity: 1.507 · 1.507
Water Solubility: 115 g/L · 115g/L at 20℃
InChI: InChI=1S/2NO3.O.Zr/c2*2-1(3)4;;/q2*-1;;+2
InChIKey: JWBWFTANBHYHBC-UHFFFAOYSA-N
SMILES: O(N(=O)=O)[Zr](=O)ON(=O)=O
CAS DataBase Reference: 13826 · 13826-66-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 51 KXE8D · SYE51KXE8D
EPA Substance Registry System: Zirconium oxynitrate (13826-66-9)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H272 (33.3%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 219 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Zirconium, bis(nitrato-.kappa.O)oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Zirconium, bis(nitrato-.kappa.O)oxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 04-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16820

Hazards SummaryA skin and eye irritant; [MSDSonline] See Zirconium.

Hazard Classes and CategoriesOx. Sol. 2 (33.3%)

Safety & protection

Exposure Control and Personal Protection1.0 [mg/m3], inhalable fraction (metal and insol. cmpds.)[German Research Foundation (DFG)]

Threshold Limit Values (TLV) · 2 items

5.0 [mg/m3], as Zr

10.0 [mg/m3], as Zr

Permissible Exposure Limit (PEL)0.5 [mg/m3], as Zr (compounds)

Chemistry & industry

Uses & manufacturing

UsesUsed in the production of spinel cobalt oxides for metal anode coatings; In this process, zirconyl nitrate is heated to decomposition and releases NO2. [Kirk-Othmer]

U.S. Production2023: 25,000 - <50,000 lb

Industry UsesBinder

General Manufacturing Information · 2 items

All Other Chemical Product and Preparation Manufacturing

Zirconium, bis(nitrato-.kappa.O)oxo-: ACTIVE

Applications · 1 item

UsesZirconia nitrate is an important chemical raw materials, can be used as a reagent for the determination of potassium and fluoride, also used in the preparation of light agents and refractory materials, but also used in the preparation of catalysts, electronic products.