λ5-bismuthio(3+) ion pentahydrate trinitrate

• ChemBase ID: 105732
• Molecular Formular: BiH10N3O14
• Molecular Mass: 485.0715
• Monoisotopic Mass: 484.99667502
• SMILES: O.O.O.O.O.[Bi+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.[Bi+3]
• InChI: InChI=1S/Bi.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1
• InChIKey: FBXVOTBTGXARNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^5-bismuthio(3+) ion pentahydrate trinitrate; bismuth(3+) ion tris(nitrooxidane) pentahydrate; bismuth(3+) ion pentahydrate trinitrate
• IUPAC Traditional name: λ^5-bismuthio(3+) ion pentahydrate trinitrate; bismuth(3+) ion pentahydrate trinitronate; bismuth(3+) ion pentahydrate trinitrate
• Synonyms: Bismuth trinitrate pentahydrate; Bismuth(III) nitrate pentahydrate; Bismuth(III) nitrate hydrate, Puratronic®; Bismuth(III) nitrate pentahydrate, ACS; BISMUTH NITRATE; BISMUTH NITRATE PENTAHYDRATE ACS REAGENT GRADE; 硝酸铋(III) 五水合物; 硝酸铋(III), Puratronic®; 五水合硝酸铋(III), ACS; 五水合硝酸铋(III)

Database IDs

• CAS Number: 10035-06-0; 10361-44-1
• EC Number: 233-791-8; 231-177-4
• MDL Number: MFCD00149157; MFCD00003460
• Merck Index: 141271
• PubChem SID: 162092576; 24854938; 24855361; 24870440; 24863932
• PubChem CID: 160911

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

• Solubility: Soluble in dilute HNO3 acid solution. Decomposes in water to subnitrate. Soluble in dilute acetic acid, glycerol, acetone. Insoluble in alcohol, ethyl acetate
• Apperance: Crystalline
• Melting Point: 30 °C(lit.); 30°C dec.
• Boiling Point: 75-80 °C(lit.)
• Density: 2.83; 2.830 g/ml
• Vapor Pressure: 1 mm Hg at 1021 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: EB2984430
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1477; UN1477
• German water hazard class: 2
• Hazard Class: 5.1
• Packing Group: 2; II
• Australian Hazchem: 1Z
• Risk Statements: 8-36/37/38; R:8-36/37/38
• Safety Statements: 17-26-36; 17-26-37-60; S:17-20-25-26-37/39
• EU Classification: O2
• EU Hazard Identification Number: 5.1B
• Emergency Response Guidebook(ERG) Number: 140
• 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: dust mask type N95 (US), 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; 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: ≥98.0%; ≥98.0% (KT); ≥98.5% (complexometric); ≥99.5%; ≥99.99% trace metals basis; 98%; 99.999% (metals basis); 99.999% trace metals basis
• Grade: ACS; ACS reagent; JIS special grade; puriss.; purum p.a.; REAGENT; reagent grade
• Impurities: <100 ppm total metallic impurities; ≤0.005% insolubles
• Cation Traces: Ag: ≤0.001%; Ag: ≤10 mg/kg; As: ≤0.001%; Ca: ≤0.005%; Ca: ≤20 mg/kg; Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤0.002%; Cu: ≤10 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.001%; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; K: ≤0.01%; K: ≤100 mg/kg; K: ≤20 mg/kg; Mg: ≤20 mg/kg; Na: ≤0.02%; Na: ≤100 mg/kg; Na: ≤20 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.002%; Pb: ≤20 mg/kg; Pb: ≤50 mg/kg; Zn: ≤10 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Quality: crystallized
• Linear Formula: Bi(NO3)3 · 5H2O

DETAILS

MP Biomedicals - 02193883

ACS Reagent Grade
Purity: 98%
Pentahydrate

MP Biomedicals - 05206662

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 467839

Packaging
50, 250 g in poly bottle
Application
An excellent oxidant for a variety of 4-substituted Hantzsch 1,4-dihydropyridines.1 Convenient reagent for selective oxidation of sufides to sulfoxides.2

Sigma Aldrich - 248592

Packaging
100, 500 g in poly bottle
Application
An excellent oxidant for a variety of 4-substituted Hantzsch 1,4-dihydropyridines.1 Convenient reagent for selective oxidation of sufides to sulfoxides.2

Sigma Aldrich - 254150

Packaging
25 g in glass bottle
Application
An excellent oxidant for a variety of 4-substituted Hantzsch 1,4-dihydropyridines.1 Convenient reagent for selective oxidation of sufides to sulfoxides.2

Sigma Aldrich - 383074

Application
An excellent oxidant for a variety of 4-substituted Hantzsch 1,4-dihydropyridines.1 Convenient reagent for selective oxidation of sufides to sulfoxides.2
Packaging
100, 500 g in poly bottle

REFERENCES

• Useful, easily handled oxidizing and nitrating agent in organic synthesis. Montmorillonite KSF acidic clay impregnated with bismuth nitrate was found to be an excellent reagent for high-yield aromatic nitration: Tetrahedron Lett., 41, 8017 (2000). Phenols can be nitrated with the salt itself in acetone, or without solvent: J. Org. Chem., 70, 9071 (2005). In the presence of montmorillonite, alcohols can be oxidized to carbonyl compounds: Synth. Commun., 31, 2691 (2001). Reagent for deprotection of oximes: Synthesis, 1010 (2001), and hydrazones: Synth. Commun., 32, 1917 (2001). Thioamides and thioureas are readily converted to their oxo-analogs: Tetrahedron Lett., 44, 591 (2003).
• Catalyst for a convenient, high-yield Michael addition of various substrates, including amines, imidazoles and indoles, to enones: J. Org. Chem., 68, 2109 (2003). Efficient catayst for tetrahydropyranylation and depyranylation of alcohols: Eur. J. Org. Chem., 4891 (2005).
• For a brief feature on uses of the reagent in organic synthesis, see: Synlett, 2699 (2005).