calcium bis(nitrooxidane) tetrahydrate

• ChemBase ID: 76543
• Molecular Formular: CaH8N2O10
• Molecular Mass: 236.14892
• Monoisotopic Mass: 235.98048545
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Ca+2]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.[Ca+2]
• InChI: InChI=1S/Ca.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1
• InChIKey: ICSSIKVYVJQJND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium bis(nitrooxidane) tetrahydrate; calcium tetrahydrate dinitrate
• IUPAC Traditional name: calcium(2+) tetrahydrate dinitronate; calcium tetrahydrate dinitrate; calcium tetrahydrate dinitronate
• Synonyms: Calcium nitrate hydrate, Puratronic®; Calcium(II) nitrate tetrahydrate; Calcium nitrate tetrahydrate; CALCIUM NITRATE TETRAHYDRATE ACS REAGENT GRADE; CALCIUM NITRATE TETRAHYDRATE ULTRA PURE; Calcium nitrate tetrahydrate, ACS; 四水硝酸钙; 四水硝酸钙, Puratronic®; 硝酸钙 四水合物; 四水硝酸钙, ACS

Database IDs

• CAS Number: 35054-52-5; 13477-34-4
• EC Number: 233-332-1
• MDL Number: MFCD00149604
• Merck Index: 141682
• PubChem SID: 162041447; 24892743; 24858861; 24892410; 24892530; 24854219; 24892977
• PubChem CID: 16211656

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: H2O: soluble1 M at 20 °C, clear, colorless; Soluble in water, alcohol, and acetone
• Apperance: Crystalline
• Melting Point: 40-45°C; 42°C; 44 °C (dec.)(lit.); 45°C
• Boiling Point: 132°C; 132°C dec.
• Density: 1.82; 1.86 g/ml; 1.86 g/mL at 25 °C
• pH: 4-7 (20 °C, 5%); 5.0-7.0 (20 °C, 5%); 5.0-7.0 (25 °C, 5%); 5.0-7.0 (25 °C, 50 mg/mL in H2O); 5.5-7.0 (25 °C, 1 M in H2O); 5.5-7.5 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic; Oxidising Agent/Irritant/Hygroscopic
• RTECS: EW3000000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1454; UN1454
• German water hazard class: 1; 3
• Hazard Class: 5.1
• Packing Group: 3; III
• Australian Hazchem: 1Z
• Risk Statements: 8; 8-36/37/38; R:8-36/37/38
• Safety Statements: 17-26-37; 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: Warning
• GHS Hazard statements: H272; H272-H302-H315-H319-H335; H272-H315-H319-H335
• GHS Precautionary statements: P220; P221-P210-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: 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 1454 5.1/PG 3

Product Information

• Purity: ≥98%; ≥99%; ≥98%; ≥98.0%; ≥98.0% (KT); ≥98.5%; ≥99.0%; ≥99.0% (KT); 99%; 99.0-103.0%; 99.0-103.0% (ACS specification); 99.98% (metals basis); 99.9995% (metals basis); 99-103%
• Grade: ACS; ACS reagent; JIS special grade; puriss.; puriss. p.a.; purum p.a.; REAGENT; SAJ first grade
• Suitability: cell culture tested; suitable for cell culture; suitable for plant cell culture
• Impurities: ≤0.0005% heavy metals (as Pb); ≤0.0005% Phosphorus (P); ≤0.002% heavy metals (as Pb); ≤0.005% ammonium (NH4); ≤0.005% insolubles; ≤0.005% water-insoluble matter; ≤0.1% Insoluble matter; insoluble matter, passes filter test
• Cation Traces: Al: ≤0.002%; As: ≤0.1 mg/kg; Ba: ≤0.005%; Ba: ≤10 mg/kg; Ba: ≤5 mg/kg; Ba: ≤50 mg/kg; Bi: ≤5 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤2 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.01%; Mg: ≤0.05%; Mg: ≤100 mg/kg; Mg: ≤300 mg/kg; Mg: ≤500 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤0.01%; Na: ≤100 mg/kg; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤0.05%; Sr: ≤100 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.005%; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; nitrite (NO2-): ≤0.001%; nitrite (NO2-): ≤10 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤0.002%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Quality: crystallized
• Product Line: BioUltra
• abs.: absorption1M/332 nm, H2O cut-off
• Linear Formula: Ca(NO3)2 · 4H2O

DETAILS

MP Biomedicals - 02193801

Tetrahydrate
ACS Reagent Grade
Purity: >99%

MP Biomedicals - 02193800

Ultra Pure Reagent
Tetrahydrate
Purity: >98%

Sigma Aldrich - C7652

包装
500 g in glass bottle

Sigma Aldrich - C2786

包装
1 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - C4955

包装
1 kg in glass bottle
500 g in glass bottle

Sigma Aldrich - C1396

包装
1 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - 237124

Packaging
2.5 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - 21194

Application
Constituent of plant cell culture media.