iron(3+) ion tris(nitrooxidane) nonahydrate

• ChemBase ID: 105006
• Molecular Formular: FeH18N3O18
• Molecular Mass: 403.99722
• Monoisotopic Mass: 403.99347325
• SMILES: O.O.O.O.O.O.O.O.O.[Fe+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.O.O.O.O.[Fe+3]
• InChI: InChI=1S/Fe.3NO3.9H2O/c;3*2-1(3)4;;;;;;;;;/h;;;;9*1H2/q+3;3*-1
• InChIKey: SZQUEWJRBJDHSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion tris(nitrooxidane) nonahydrate; iron(3+) ion nonahydrate trinitrate
• IUPAC Traditional name: ferric iron nonahydrate trinitronate; iron(3+) ion nonahydrate trinitrate; iron(3+) ion nonahydrate trinitronate
• Synonyms: Iron(III) nitrate hydrate, Puratronic®; Iron(III) nitrate nonahydrate, ACS; Ferric nitrate nonahydrate; Iron[III] nitrate; FERRIC NITRATE NONAHYDRATE; FERRIC NITRATE NONAHYDRATE ACS REAGENT GRADE; Iron(III) nitrate nonahydrate; Ferric nitrate; Nitric acid, iron(3+) salt; Iron(III) nitrate; 硝酸铁(III) 水合物, Puratronic®; 硝酸铁(III) 九水合物, ACS; 硝酸铁 九水合物; 硝酸铁(III) 九水合物

Database IDs

• CAS Number: 7782-61-8; 10421-48-4
• EC Number: 233-899-5; 231-096-4
• MDL Number: MFCD00149708
• Merck Index: 144027
• PubChem SID: 24894835; 24894966; 24877671; 24855367; 162093307; 24858889; 24852979
• PubChem CID: 16211566; 168014
• Chemspider ID: 10670706
• Unique Ingredient Identifier: N8H8402XOB
• Wikipedia Title: Iron(III)_nitrate

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: 150 g/100 mL (hexahydrate) in water; Freely soluble in water, alcohol, acetone. Slightly soluble in cold and concentrated HNO3; soluble in alcohol, acetone
• Apperance: Crystalline; Crystalline Aggregates; Crystalline, Contains excess HNO3; Pale violet crystals ; hygroscopic; solid
• Melting Point: 46-48 °C; 47 °C(lit.); 47.2 °C (nonahydrate); 47°C
• Boiling Point: 125 °C; 125 °C (nonahydrate); 125°C dec.
• Flash Point: non-flammable
• Density: 1.68 g/cm^3 (hexahydrate) ; 1.6429 g/cm^3(nonahydrate); 1.684; 1.684 g/cm^3 at 25 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• Storage Warning: Moisture Sensitive
• RTECS: NO7175000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1466; UN1466
• German water hazard class: 1; 3
• Hazard Class: 5.1
• Packing Group: 3; III
• Australian Hazchem: 1Z
• Risk Statements: 8-36/37/38; 8-36/38; R:8-36/37/38
• Safety Statements: 17-26-36; 17-26-37-60; 26; 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
• EU Index: not listed
• GHS Pictograms: GHS03; : Ox. sol. 3; GHS07; : Acute tox. 4 (oral); Eye irrit. 1
• GHS Signal Word: WARNING; Warning
• NFPA704:
  

  0

  1

  0

  OX
• GHS Hazard statements: 272, 302, 319; H272-H315-H319; H272-H315-H319-H335
• GHS Precautionary statements: 210, 220, 221, 264, 270, 280, 301+312, 305+351+338, 330, 337+313, 370+378, 501; P220-P261-P305 + P351 + P338; P221-P210-P305+P351+P338-P302+P352-P321-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 1466 5.1/PG 3

Product Information

• Purity: >98%; ≥96%; ≥97.0% (RT); ≥98%; ≥98.0%; ≥99.0%; ≥99.999% trace metals basis; 98.0-101.0%; 98.0-101.0% (ACS specification); 98+% (metals basis); 98-101% (RT); 99.99% trace metals basis; 99.999% (metals basis)
• Grade: ACS; ACS reagent; JIS special grade; puriss. p.a.; purum p.a.; REAGENT; SAJ first grade
• Suitability: suitable for cell culture
• Impurities: ≤0.005% insolubles; ≤0.1% Substances not pptd. by NH4OH (as sulfates)
• Cation Traces: As: ≤2 mg/kg; Ca: ≤50 mg/kg; Cd: ≤10 mg/kg; Cd: ≤50 mg/kg; Co: ≤10 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe2+: ≤20 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤10 mg/kg; Mn: ≤200 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤50 mg/kg; Pb: ≤10 mg/kg; Pb: ≤50 mg/kg; Zn: ≤10 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤5 ppm; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤50 mg/kg; sulfate (SO42-): ≤0.01%; sulfate (SO42-): ≤300 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: Fe(NO3)3 · 9H2O

DETAILS

MP Biomedicals - 02158041

Nonahydrate
Crystalline

MP Biomedicals - 02194046

Nonahydrate
ACS Reagent Grade
Purity: >98%

MP Biomedicals - 02194662

Cell Culture Reagent
Nonahydrate

Sigma Aldrich - F8508

General description
硫酸亚铁七水合物用于细胞培养，通常与转铁蛋白、柠檬酸盐或其他铁转运分子结合。
包装
100 g in poly bottle

Sigma Aldrich - 529303

Packaging
25 g in glass bottle
Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores,were prepared using this compound.1

Sigma Aldrich - 254223

Packaging
10, 50, 250 g in glass bottle
Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores,were prepared using this compound.1

Sigma Aldrich - F3002

包装
1 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - 216828

Packaging
1, 2.5 kg in poly bottle
100, 250, 500 g in poly bottle
Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores,were prepared using this compound.1

REFERENCES

• Catalyst for preparation of alkali metal amides from the metals in liquid ammonia (numerous Organic Syntheses references).
• On a clay support, cleaves 2,4-dinitrophenylhydrazones: Synthesis, 439 (1985).
• For use in regioselective mononitration of phenols, see: Tetrahedron, 45, 1415 (1989). The reaction can also be carried out in an ionic liquid: Synth. Commun., 33, 961 (2003).
• Details have been given for an improved method for preparation of the useful oxidizing agent potassium ferrate(VI) by oxidation with hypochlorite, and subsequent use, supported on Montmorillonite K10 clay, for the selective oxidation of benzyl alcohol or benzylamine to benzaldehyde, thiols to disulfides, aniline to azobenzene and various oximes and hydrazones to the parent ketone: J. Org. Chem., 61, 6360 (1996).