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35054-52-5 molecular structure
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calcium bis(nitrooxidane) tetrahydrate

ChemBase ID: 76543
Molecular Formular: CaH8N2O10
Molecular Mass: 236.14892
Monoisotopic Mass: 235.98048545
SMILES and InChIs

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

Cite this record

CBID:76543 http://www.chembase.cn/molecule-76543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3999903  H Acceptors
H Donor LogD (pH = 5.5) 0.8368004 
LogD (pH = 7.4) 0.8368004  Log P 0.8368004 
Molar Refractivity 8.3471 cm3 Polarizability 3.4222581 Å3
Polar Surface Area 66.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
Soluble in water, alcohol, and acetone expand Show data source
Apperance
Crystalline expand Show data source
Melting Point
40-45°C expand Show data source
42°C expand Show data source
44 °C (dec.)(lit.) expand Show data source
45°C expand Show data source
Boiling Point
132°C expand Show data source
132°C dec. expand Show data source
Density
1.82 expand Show data source
1.86 g/ml expand Show data source
1.86 g/mL at 25 °C expand Show data source
pH
4-7 (20 °C, 5%) expand Show data source
5.0-7.0 (20 °C, 5%) expand Show data source
5.0-7.0 (25 °C, 5%) expand Show data source
5.0-7.0 (25 °C, 50 mg/mL in H2O) expand Show data source
5.5-7.0 (25 °C, 1 M in H2O) expand Show data source
5.5-7.5 (25 °C, 50 mg/mL in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
Oxidising Agent/Irritant/Hygroscopic expand Show data source
RTECS
EW3000000 expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1454 expand Show data source
UN1454 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
1Z expand Show data source
Risk Statements
8 expand Show data source
8-36/37/38 expand Show data source
R:8-36/37/38 expand Show data source
Safety Statements
17-26-37 expand Show data source
S:17-20-25-26-37/39 expand Show data source
EU Classification
O2 expand Show data source
EU Hazard Identification Number
5.1B expand Show data source
Emergency Response Guidebook(ERG) Number
140 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H272 expand Show data source
H272-H302-H315-H319-H335 expand Show data source
H272-H315-H319-H335 expand Show data source
GHS Precautionary statements
P220 expand Show data source
P221-P210-P305+P351+P338-P302+P352-P405-P501A expand Show data source
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 expand Show data source
RID/ADR
UN 1454 5.1/PG 3 expand Show data source
Purity
≥98% expand Show data source
≥99% expand Show data source
≥98% expand Show data source
≥98.0% expand Show data source
≥98.0% (KT) expand Show data source
≥98.5% expand Show data source
≥99.0% expand Show data source
≥99.0% (KT) expand Show data source
99% expand Show data source
99.0-103.0% expand Show data source
99.0-103.0% (ACS specification) expand Show data source
99.98% (metals basis) expand Show data source
99.9995% (metals basis) expand Show data source
99-103% expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
REAGENT expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
cell culture tested expand Show data source
suitable for cell culture expand Show data source
suitable for plant cell culture expand Show data source
Impurities
≤0.0005% heavy metals (as Pb) expand Show data source
≤0.0005% Phosphorus (P) expand Show data source
≤0.002% heavy metals (as Pb) expand Show data source
≤0.005% ammonium (NH4) expand Show data source
≤0.005% insolubles expand Show data source
≤0.005% water-insoluble matter expand Show data source
≤0.1% Insoluble matter expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤0.002% expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤0.005% expand Show data source
Ba: ≤10 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Ba: ≤50 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤2 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤5 ppm expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤0.005% expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.01% expand Show data source
Mg: ≤0.05% expand Show data source
Mg: ≤100 mg/kg expand Show data source
Mg: ≤300 mg/kg expand Show data source
Mg: ≤500 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.005% expand Show data source
Na: ≤0.01% expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤0.05% expand Show data source
Sr: ≤100 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.005% expand Show data source
chloride (Cl-): ≤20 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
nitrite (NO2-): ≤0.001% expand Show data source
nitrite (NO2-): ≤10 mg/kg expand Show data source
phosphate (PO43-): ≤10 mg/kg expand Show data source
sulfate (SO42-): ≤0.002% expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
sulfate (SO42-): ≤20 mg/kg expand Show data source
sulfate (SO42-): ≤200 mg/kg expand Show data source
Quality
crystallized expand Show data source
Product Line
BioUltra expand Show data source
abs.
absorption1M/332 nm, H2O cut-off expand Show data source
Linear Formula
Ca(NO3)2 · 4H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02193801 external link
Tetrahydrate
ACS Reagent Grade
Purity: >99%
MP Biomedicals - 02193800 external link
Ultra Pure Reagent
Tetrahydrate
Purity: >98%
Sigma Aldrich - C7652 external link
包装
500 g in glass bottle
Sigma Aldrich - C2786 external link
包装
1 kg in poly bottle
500 g in poly bottle
Sigma Aldrich - C4955 external link
包装
1 kg in glass bottle
500 g in glass bottle
Sigma Aldrich - C1396 external link
包装
1 kg in poly bottle
500 g in poly bottle
Sigma Aldrich - 237124 external link
Packaging
2.5 kg in poly bottle
500 g in poly bottle
Sigma Aldrich - 21194 external link
Application
Constituent of plant cell culture media.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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