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: 24899673; 24899815; 24899682; 24848145; 46507049; 160964664; 24899817; 24899582; 24899695; 24858955; 24899739; 24865036; 24889074; 24899571; 24862462
• PubChem CID: 516892
• CHEBI ID: 32139
• ATC CODE: B05XA02; QG04BQ01; B05CB04
• 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

• 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)

• 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

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• 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

• Admin Routes: Intravenous, oral

• 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