calcium carbonate

• ChemBase ID: 105579
• Molecular Formular: CCaO3
• Molecular Mass: 100.0869
• Monoisotopic Mass: 99.94733484
• SMILES: [Ca+2].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[Ca+2]
• InChI: InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
• InChIKey: VTYYLEPIZMXCLO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium carbonate
• IUPAC Traditional name: calcium carbonate; calcium(2+) CO3
• Synonyms: Calcii carbonas; Calcium carbonate, ACS; Calcium carbonate, ACS, low in alkalies; Calcium carbonate, chelometric standard, ACS; Calcium Carbonate (naturally occuring mineral); Calcite, naturally occurring mineral, grains, approximately 0.06-0.19in; Calcium carbonate, Puratronic®; Calcium carbonate; Marble; Limestone; calcite; chalk; marble; pearl; oyster clam; Calcium carbonate; Calcium carbonate; Carbonic Acid Calcium Salt; Aragonite; CALCIUM CARBONATE ACS REAGENT GRADE; Aragonite, naturally occurring mineral, grains, approximately 0.06-0.19in; 碳酸钙; 碳酸钙, ACS; 碳酸钙, ACS, 低碱; 碳酸钙, 螯合级, ACS; 方解石, 天然矿物, 晶粒, 大约 0.06-0.19in; 碳酸钙, Puratronic®; Marble; 碳酸钙; 文石, 天然矿物, 晶粒, 大约 0.06-0.19in

Database IDs

• CAS Number: 14791-73-2; 471-34-1; 13397-26-7
• EC Number: 207-439-9
• MDL Number: MFCD00010906
• Beilstein Number: 8008338
• Merck Index: 141657
• PubChem SID: 24892730; 24847406; 24858858; 24871783; 24852648; 24892891; 24852132; 24864718; 24854360; 162092650; 24858766; 24855531; 24892821; 24852549
• PubChem CID: 10112
• CHEBI ID: 3311
• ATC CODE: A02AC01; A12AA04
• CHEMBL: 1200539
• Chemspider ID: 9708
• KEGG ID: D00932
• Unique Ingredient Identifier: H0G9379FGK
• Wikipedia Title: Calcium_carbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

• Solubility: 0.0013 g/100 mL (25°C) in water; 5 M HCl: soluble0.1 M at 20 °C, clear, colorless; Practically insoluble in water. Soluble in diluted acids; soluble in dilute acids
• Apperance: 5 Micron Powder; Fine white powder; powder; Powder; powder and chunks; random crystals
• Melting Point: 800°C dec.; 825 °C (aragonite) ; 1339 °C (calcite); 899 °C with decomposition
• Boiling Point: decomposes
• Flash Point: Non-flammable
• Density: 2.7 - 2.9 g/cm^3 at 20 °C; 2.711 g/cm^3 (calcite); 2.83 g/cm^3 (aragonite); 2.93 g/mL at 25 °C(lit.); 2.930
• Refractive Index: 1.59; 1.6583; n20/D 1.6584(lit.)
• Vapor Pressure: Not volatile
• Absorption Wavelength: λ: 260 nm Amax: ≤0.09; λ: 280 nm Amax: ≤0.06
• pKa: 9.0
• Odor: odorless
• Std enthalpy of formation: -1207 kJ·mol^-1
• Std molar entropy: 93 J·mol^-1·K^-1
• Solubility Product (Ksp): 4.8×10^-9

• Storage Condition: Room Temperature (15-30°C)
• RTECS: FF9335000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: nwg
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: 是
• EU Index: Not listed
• NFPA704:
  

  0

  1

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• LD50: 6450 mg/kg (oral, rat)
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

• Purity: >99%; ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (KT); ≥99.5%; ≥99.995% trace metals basis; ≥99.999% trace metals basis; 98%; 98.5-100.5% (based on anhydrous substance); 99.0% min; 99.5% (metals basis); 99.95% (metals basis); 99.95-100.05%; 99.95-100.05% dry basis; 99.99% (metals basis); 99.997% (metals basis)
• Grade: ACS; ACS reagent; chelometric standard; CP; JIS special grade; optical grade; Ph Eur; puriss.; puriss. p.a.; purum p.a.; REAGENT; ReagentPlus®; SAJ first grade
• Particle Size: ≤30 μm
• Suitability: meets USP testing specifications; suitable for insect cell culture
• Impurities: ≤0.0005% Phosphorus (P); ≤0.001% total nitrogen (N); ≤0.002 meq/g water-soluble titr. base; ≤0.002 meq/g Water-soluble titratable base; ≤0.002% heavy metals (as Pb); ≤0.005% insoluble in hydrochloric acid; ≤0.005% oxidizers; ≤0.005% Oxidizing substances (as NO3); ≤0.01% Ammonium hydroxide precipitate; ≤0.01% insol. dil. HCl; ≤0.01% Insoluble in dilute hydrochloric acid; ≤0.01% NH4OH pptd.; ≤0.1% Insoluble matter; ≤0.2% insoluble in acid (CH3COOH); ≤0.2% insoluble in hydrochloric acid; ≤1% alkali-, Mg-ions (as SO4); insoluble matter, passes filter test; organic volatile impurities, complies; residual solvents, complies
• Cation Traces: Al: ≤0.0005%; As: ≤0.1 mg/kg; As: ≤2 mg/kg; Ba: ≤0.005%; Ba: ≤0.01%; Ba: ≤50 mg/kg; Ba:, in accordance; 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: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤0.002%; Fe: ≤0.003%; Fe: ≤10 mg/kg; Fe: ≤200 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; Hg: ≤0.5 mg/kg; K: ≤0.005%; K: ≤0.01%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.01%; Mg: ≤0.02%; Mg: ≤1000 mg/kg; Mg: ≤500 mg/kg; Mn: ≤100 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤0.01%; Na: ≤0.1%; Na: ≤100 mg/kg; Na: ≤2000 mg/kg; NH4+: ≤0.003%