sodium hydrogen carbonate

• ChemBase ID: 1202
• Molecular Formular: CHNaO3
• Molecular Mass: 84.00661
• Monoisotopic Mass: 83.98233817
• SMILES: [Na+].OC(=O)[O-]
• Canonical SMILES: [O-]C(=O)O.[Na+]
• InChI: InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
• InChIKey: UIIMBOGNXHQVGW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrogen carbonate
• IUPAC Traditional name: potassium bicarbonate; sodium bicarbonate
• Brand Name: Natrum bicarbonicum; Gripe water; Hema BP-38; Colovage; Colyte; E-Z-EM Prep Lyte; Elliotts B solution; Endosol extra; Glycoprep; Go-evac; Golytely; Co-lav; Citrocarbonate; Baros; BSS plus; 800 Sodium Bicarbonate Powder; Acidosan; Neut; Nulytely; OCL; Peg-lyte; Sandoz sodium bicarbonate; Sodium bicarbonate in plastic container; Sodium bicarbonate liquid concentrate; Meylon
• Synonyms: Sodium bicarbonate solution; Sodium bicarbonate concentrate; Sodium bicarbonate; Sodium hydrogencarbonate; Sodium bicarbonate solution; nahcolita; sodium bicarbonata; Sodium hydrogen carbonate, ACS; Sodium hydrogen carbonate; Sodium hydrocarbonate; Sodium hydrogen carbonate; Sodium hydrogencarbonate; Sodium acid carbonate; Carbonic acid monosodium salt; Bicarbonate of soda; Sodium bicarbonate; Baking Soda; Monosodium carbonate; SODIUM BICARBONATE ACS REAGENT GRADE; SODIUM BICARBONATE, U.S.P.; SODIUM BICARBONATE, HPLC GRADE; Natrii hydrogenocarbonas; Sodium bicarbonate; Sodium hydrogen carbonate, Puratronic®; 重碳酸钠; 碳酸氢钠; 碳酸氢钠 溶液; 碳酸氢钠, ACS; 碳酸氢钠; 小苏打; 碳酸氢钠, Puratronic®

Database IDs

• CAS Number: 144-55-8
• EC Number: 231-791-2; 205-633-8
• MDL Number: MFCD00003528
• Beilstein Number: 4153970
• Merck Index: 148583
• PubChem SID: 24848145; 160964664; 24899817; 24899582; 24899695; 24858955; 24899739; 24899673; 24899815; 24899682; 24865036; 46507049; 24889074; 24899571; 24862462
• PubChem CID: 516892
• CHEBI ID: 32139
• ATC CODE: QG04BQ01; B05CB04; B05XA02
• CHEMBL: 1353
• Chemspider ID: 8609
• DrugBank ID: DB01390
• KEGG ID: C12603
• MeSH Name: Sodium+bicarbonate
• Unique Ingredient Identifier: 8MDF5V39QO
• Wikipedia Title: Sodium_bicarbonate

CALCULATED PROPERTIES

JChem

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 20.3353 cm^3
• Polarizability: 3.759794 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.06
• LOG S: 0.96
• Solubility (Water): 7.64e+02 g/l

PROPERTIES

Physical Property

• Solubility: 100 mg/mL at 25 oC [MERCK INDEX (1996)]; 9 g/100 mL69 g/L (0 °C) ; 96 g/L (20 °C) ; 165 g/L (60 °C); 236 g/L (100 °C) in water; H2O: soluble0.1 g/mL at 25 °C, clear, colorless; H2O: soluble0.5 g/10 mL, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless; insoluble in ethanol; Soluble in water. Insoluble in alcohol
• Apperance: crystalline; dry powder; Granular; liquid; powder; Powder; solution (7.5%); White crystals
• Melting Point: 270 °C; decomposition begins at 50 °C; 50°C (decomposes)
• Boiling Point: 851°C
• Density: 2.159; 2.159 at 20 °C; 2.16 g/mL at 25 °C(lit.); 2.20 g cm^-3
• Refractive Index: 1.3344; 1.500
• Partition Coefficient: -0.82
• Absorption Wavelength: λ: 240 nm Amax: ≤0.1; λ: 250 nm Amax: ≤0.04; λ: 260 nm Amax: ≤0.01; λ: 260 nm Amax: ≤0.02; λ: 280 nm Amax: ≤0.01; λ: 500 nm Amax: ≤0.01
• pKa: (1) 6.37, (2) 10.25 (carbonic acid) (25°C); 10.3296.351 (carbonic acid)
• Odor: odorless
• Std enthalpy of formation: -948 kJ·mol^-1
• Std molar entropy: 102 J·mol^-1·K^-1
• pH: ≤8.6 (20 °C, 5%); 7.5-8.5 (25 °C, 1 M in H2O, freshly prepared); 8.0-8.6 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VZ0950000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; nwg
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: 是
• Main Hazard: Causes serious eye irritation
• NFPA704:
  

  0

  1

  0
• LD50: 4.22 g kg^-
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Admin Routes: Intravenous, oral

Product Information

• Purity: ≥99%; ≥95%; ≥99.0%; ≥99.0% (T); ≥99.5%; ≥99.5% (T); ≥99.7%; ≥99.7% (T); 99%; 99.0-100.5%; 99.5%; 99.5-100.3%; 99.5-100.5%; 99.7-100.3%; 99.7-100.3% dry basis; 99.998% (metals basis)
• Concentration: 0.1 M NaHCO3 in H2O
• Grade: ACS; ACS reagent; ACS reagent, reag. Ph. Eur.; Biotechnology Performance Certified; for HPLC; for molecular biology; HPLC; Hybri-Max™; JIS special grade; Ph Eur; puriss.; puriss. p.a.; purum p.a.; REAGENT; ReagentPlus®; SAJ first grade; USP
• Particle Size: -40-+140 mesh
• Suitability: cell culture tested; complies for appearance of solution; in accordance for filter test; in accordance for RP gradient test; insect cell culture tested; meets USP testing specifications; suitable for cell culture; suitable for hybridoma; suitable for insect cell culture
• Description: 7.5% solution; for research or for further manufacturing use
• Impurities: ≤0.0005% ammonium (NH4); ≤0.0005% Phosphorus (P); ≤0.002% ammonium (NH4), complies; ≤0.003% S compounds; ≤0.003% S-compounds (as SO4); ≤0.003% sulfur compounds (as SO4); ≤0.005% I red. matters (as SO2); ≤0.005% iod red. matter (as I); ≤0.005% iod red. matter (as J); ≤0.015% in water insoluble matters; ≤0.015% Insoluble matter; ≤0.015% insolubles; 2-5% Na2CO3; ammonia (NH3), in accordance; bioburden, tested; DNase, RNase, Protease, tested; endotoxin, tested; insoluble matter, passes filter test; organic volatile impurities, complies; residual solvents, complies; water-insoluble matter, complies
• Cation Traces: Al: ≤0.0005%; Al: ≤0.5 mg/kg; Al: ≤10 mg/kg; As: ≤0.1 mg/kg; As: ≤2 mg/kg; As: 2 ppm (MHS-AAS); Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca, Mg and R2O3 precipitate: ≤0.02%; Ca: ≤0.005%; Ca: ≤0.02%; Ca: ≤100 mg/kg; Ca: ≤100 ppm; Cd: ≤5 mg/kg; Cd: ≤5 ppm; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Co: ≤50 ppm; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Cu: ≤5 ppm; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤0.001%; Fe: ≤10 mg/kg; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; heavy metals (as Pb): ≤5 ppm; heavy metals: ≤5 ppm; Hg: ≤1 mg/kg; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; K: ≤50 ppm; Li: ≤5 mg/kg; Mg: ≤0.005%; Mg: ≤50 mg/kg; Mg: ≤50 ppm; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.0005%; NH4+: ≤5 mg/kg; NH4+: ≤5 ppm; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Ni: ≤50 ppm; Pb: ≤0.0005%; Pb: ≤10 mg/kg; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤5 ppm; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg; Zn: ≤5 ppm; Zn: ≤50 mg/kg
• Antion Traces: carbonate (CO32-): in accordance; chloride (Cl-): ≤0.003%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤150 mg/kg; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤30 mg/kg; phosphate (PO43-): ≤0.001%; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤0.003%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤30 mg/kg; sulfur compounds (as SO42-): ≤0.003%
• Foreign Activity: DNase, RNase and protease, none detected
• Sterility: sterile-filtered
• Loss on Drying: ≤0.2% loss on drying (silica gel)
• pH Range: 6.8 - 7.4; 7.8 - 8.2
• Quality Level: GMP; PREMIUM
• Quality: meets analytical specification of Ph. Eur., BP, USP, FCC, E500
• λ: 1 M in H2O; 10 % in H2O
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioReagent; BioUltra; BioXtra
• Linear Formula: NaHCO3

DETAILS

MP Biomedicals - 02194847

Molecular Biology Reagent
Purity: >99%

MP Biomedicals - 02191435

ACS Reagent Grade
Purity: 99.5%-100.0%
Crystalline powder

MP Biomedicals - 02194553

Cell Culture Reagent
Crystalline
Purity: 99.5%

MP Biomedicals - 02195497

Crystalline
Purity: 99.5%

DrugBank - DB01390

• Drug Groups: approved
• Description: Sodium bicarbonate is a white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.
• Indication: Sodium bicarbonate is used for the treatment of metabolic acidosis which may occur in severe renal disease, uncontrolled diabetes, circulatory insufficiency due to shock or severe dehydration, extracorporeal circulation of blood, cardiac arrest and severe primary lactic acidosis. Also is indicated in severe diarrhea which is often accompanied by a significant loss of bicarbonate. Further indicated in the treatment of certain drug intoxications, including barbiturates (where dissociation of the barbiturateprotein complex is desired), in poisoning by salicylates or methyl alcohol and in hemolytic reactions requiring alkalinization of the urine to diminish nephrotoxicity of blood pigments.
• Pharmacology: Intravenous sodium bicarbonate therapy increases plasma bicarbonate, buffers excess hydrogen ion concentration, raises blood pH and reverses the clinical manifestations of acidosis.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia; RxList; Drugs.com

Sigma Aldrich - S4019

Legal Information
Hybri-Max is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - S5761

Application
Sodium bicarbonate is broadly used as a physiological buffer in cell culture applications. The pKa for bicarbonate <-> carbonic acid reaction is 6.4 The pKa for bicarbonate <-> carbonate reaction is 10.3. Sodum bicarbonate has two pKas, 6.4 and 10.3. It is broadly used as an physiological buffer in in vitro applications.

Sigma Aldrich - S8761

Preparation Note
用细胞培养级水配制。

Sigma Aldrich - 71627

Other Notes
Important component of perfusion fluid, e.g. Ringer solution1

Sigma Aldrich - 59221C

Application
Sodium bicarbonate is the most common buffer used in standard cell culture media and reagents. Additionally, most cells require carbonate ions for certain metabolic functions. Dry powder media is not typically manufactured with sodium bicarbonate because it may cause the media to clump over time. During liquid medium preparation, sodium bicarbonate can be added as a sterile solution or as a powder prior to filtration.

Sigma Aldrich - 36486

General description
This certified eluent concentrate for ion chromatography is traceable by potentiometric titration to NIST Standard Reference Material. It is certified in accordance with ISO Guide 31. All details about exact content, uncertainty, traceability and expiry date are described in the certificate.Download at: http://www.sigma-aldrich.com.
Preparation Note
Prepared with sodium bicarbonate and high purity water (18.2 MΩ, 0.2 μm filtered)

Sigma Aldrich - S8875

Packaging
1, 2.5 kg in poly bottle
5 kg in poly drum
500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - S6297

Packaging
1 kg in poly bottle
250 g in poly bottle

Sigma Aldrich - 401676

Packaging
12 kg in fiber drum
2.5 kg in poly bottle

Sigma Aldrich - S6014

Packaging
12, 50 kg in poly drum