Thallic nitrate

HCID 159690

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Basic information

CAS: 13746-98-0
Standard SMILES: O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tl+3]
InChIKey: KLBIUKJOZFWCLW-UHFFFAOYSA-N
Molecular formula: N3O9Tl
Average molar mass: 390.4 g/mol
Monoisotopic mass: 390.93788108

Overview

Thallium(III) nitrate is the inorganic nitrate salt of thallium(III). It has a role as a NMR chemical shift reference compound and an oxidising agent. It is a thallium molecular entity and an inorganic nitrate salt.

Names & identifiers

Preferred name: Thallic nitrate
IUPAC: thallium(3+) trinitrate
English name: thallium trinitrate
Molecular formula: H2NO3Tl
Molecular weight: 268.4

Names & synonyms

Thallium trinitrateThallic nitrateThallium(III) nitrate13746-98-0Nitric acid, thallium(3+) saltEINECS 237-325-4Nitric acid, thallium(3+) salt (3:1)UNII-810U72316M810U72316MTHALLIUM TRINITRATE [MI]DTXSID50890716THALLIUM NITRATE (TL(NO3)3)

Show more names

Thallium(III)-nitratTrinitric acid thallium(III)Nitric acid, thallium(3++) saltTrinitric acid thallium(III) saltNitric acid,thallium(3+) salt (3:1)

RefChem:203267DTXCID601031068thallium(3+);trinitratethallium (III) nitrate(2-Oxo-1,3,2,4-dioxazathalletidin-2-ium-4-yl) nitrate;nitratethallium(3+) trinitrateThallic nitrate trihydrateTl(NO3)3.3H2O

Database identifiers

CAS: 13746-98-0
PubChem CID: 159690
DTXSID: DTXSID50890716
ChEBI: CHEBI:229458
UNII: 810U72316M
EC Number: 237-325-4

Properties

Computed structural properties

Topological polar surface area: 189 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 18.8

Physicochemical properties

Melting point: 102 · 102–105 (trihydrate) [ALD94]
solubility: 2 O · reacts with H2O
form: colorless crystals
color: colorless crystals, crystalline
Water Solubility: 2 O · decomposes in H2O [KIR83]
CAS DataBase Reference: 13746 · 13746-98-0
FDA UNII: 810 U72316M · 810U72316M
EPA Substance Registry System: Nitric acid, thallium(3+) salt (13746-98-0)
Symbol(GHS): 3 · GHS03,GHS08,GHS09,GHS06
Signal word: Danger
Hazard statements: 373 · H373-H330-H272-H300-H411
Precautionary statements: 260 · P260-P314-P501-P210-P220-P221P280-P370+P378-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H272 (50%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P260, P264, P270, P271, P273, P280, P284, P301+P316, P304+P340, P316, P319, P320, P321, P330, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Hazard information

Hazard Classes and CategoriesOx. Sol. 3 (50%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS03,GHS08,GHS09,GHS06
Hazard statements: H373-H330-H272-H300-H411
Precautionary statements: P260-P314-P501-P210-P220-P221P280-P370+P378-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationNitric acid, thallium(3+) salt (3:1): ACTIVE

Applications

UsesIn organic syntheses for a wide variety of oxidations including rearrangement of ketones, olefins, electrophilic cyclization transformations, phenolic oxidative couplings and hydrolysis of dithianes.