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5968-11-6 molecular structure
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disodium hydrate carbonate

ChemBase ID: 103670
Molecular Formular: CH2Na2O4
Molecular Mass: 124.00372
Monoisotopic Mass: 123.97484711
SMILES and InChIs

SMILES:
O.[Na+].[Na+].[O-]C(=O)[O-]
Canonical SMILES:
[O-]C(=O)[O-].O.[Na+].[Na+]
InChI:
InChI=1S/CH2O3.2Na.H2O/c2-1(3)4;;;/h(H2,2,3,4);;;1H2/q;2*+1;/p-2
InChIKey:
MQRJBSHKWOFOGF-UHFFFAOYSA-L

Cite this record

CBID:103670 http://www.chembase.cn/molecule-103670.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium hydrate carbonate
IUPAC Traditional name
disodium hydrate carbonate
dipotassium hydrate CO3
Synonyms
Natrii carbonas monohydricus
Sodium carbonate monohydrate
Sodium carbonate monohydrate, ACS
Carbonic Acid Sodium Salt Monohydrate
Disodium Carbonate Monohydrate
SODIUM CARBONATE, ACS
一水碳酸钠
碳酸钠 一水合物
碳酸钠一水合物, ACS
碳酸钠一水合物
CAS Number
5968-11-6
EC Number
207-838-8
MDL Number
MFCD00149177
Merck Index
148596
PubChem SID
24886176
24899587
24853843
24848215
162091338
PubChem CID
2735133

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0525417  H Acceptors
H Donor LogD (pH = 5.5) 0.142811 
LogD (pH = 7.4) -1.1138874  Log P 0.25005138 
Molar Refractivity 31.1724 cm3 Polarizability 3.6386902 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water. Insoluble in alcohol expand Show data source
Apperance
Crystalline expand Show data source
Granular expand Show data source
Melting Point
100°C expand Show data source
100°C -H{2}O expand Show data source
Density
2.25 g/ml expand Show data source
2.250 expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
German water hazard class
1 expand Show data source
Risk Statements
36 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
22-26 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P280-P264-P305+P351+P338-P337+P313 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.5% expand Show data source
≥99.5% (T) expand Show data source
85% min expand Show data source
99.5% min expand Show data source
99.5-100.5% (ex dried subst.) expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
CP expand Show data source
FG expand Show data source
Ph Eur expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
REAGENT expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
complies for appearance of solution expand Show data source
Impurities
≤0.001% N compounds expand Show data source
≤0.001% total nitrogen (N) expand Show data source
≤0.004% S compounds expand Show data source
≤0.004% sulfur compounds (as SO4) expand Show data source
≤0.005% silica expand Show data source
≤0.01% insolubles expand Show data source
≤0.01% NH4OH ppt. expand Show data source
alkali hydroxides and-bicarbonates, complies expand Show data source
organic volatile impurities, complies (GC) expand Show data source
residual solvents, complies expand Show data source
Cation Traces
Ag: ≤5 mg/kg expand Show data source
Al: ≤10 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
As: ≤2 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.03% expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤10 mg/kg expand Show data source
Cu: ≤5 mg/kg 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
heavy metals (as Pb): ≤5 ppm expand Show data source
Hg: ≤1 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤300 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.005% expand Show data source
Mg: ≤50 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤4 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
phosphate (PO43-): ≤5 mg/kg expand Show data source
phosphate (PO43-): ≤5 ppm expand Show data source
silicate (as SiO2): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
sulfur compounds (as SO42-): ≤0.004% expand Show data source
Loss on Drying
12-15% loss on drying, 300 °C expand Show data source
13.0-15.0% loss on drying expand Show data source
13.0-15.0% loss on drying, 150 °C expand Show data source
Quality
meets analytical specification of Ph. Eur., BP, NF, FCC, E500 expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Linear Formula
Na2CO3 · H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152574 external link
Monohydrate
ACS Reagent Grade
Sigma Aldrich - 71355 external link
Application
Buffer component, may be used for the removal of peripheral membrane proteins.
Sigma Aldrich - 71354 external link
Application
Buffer component, may be used for the removal of peripheral membrane proteins.
Sigma Aldrich - 13568 external link
Application
Buffer component, may be used for the removal of peripheral membrane proteins.
Sigma Aldrich - 230952 external link
Application
Buffer component, may be used for the removal of peripheral membrane proteins.
Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle
Sigma Aldrich - S4132 external link
Application
Buffer component, may be used for the removal of peripheral membrane proteins.
Packaging
1 kg in poly bottle
500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 28-2230 external link
Application
Buffer component, may be used for the removal of peripheral membrane proteins.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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