calcium dichloride

• ChemBase ID: 1035
• Molecular Formular: CaCl2
• Molecular Mass: 110.984
• Monoisotopic Mass: 109.90029634
• SMILES: [Ca+2].[Cl-].[Cl-]
• Canonical SMILES: [Cl-].[Cl-].[Ca+2]
• InChI: InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
• InChIKey: UXVMQQNJUSDDNG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dichloride
• IUPAC Traditional name: calcium dichloride; calcium(2+) dichloride
• Brand Name: Bovikalc; Calcosan; Calmate R; Calol; Caloride; Calplus; Caltac; Calzina oral; Chrysoxel C 4; Daraccel; Dowflake; HSDB 923; Homberg's phosphorus; Huppert's reagent; Intergravin-orales; Jarcal; Liquical; Liquidow; Peladow; Snomelt; Stopit; Superflake anhydrous; Sure-step; U-Ramin MC; Unichem calchlor; Uramine MC
• Synonyms: Calcium(II) chloride; E509; Anhydrous calcium chloride; CaCl2; Calcium chloride anhydrous; Calcium chloride dihydrate; Calcium chloride fused; Calcium chloride pellets; Calcium chloride solution; Calcium chloride, dihydrate; Calcium dichloride; Calcium Chloride Dihydrate BP; Chip calcium chloride; Liquid calcium chloride; Calcium Chloride; Calcium chloride, dried, powder; Calcium chloride, anhydrous, porous; Calcium chloride, ultra dry; Calcium chloride; Calcium chloride, anhydrous, ACS; Calplus; Caltac; Dowflake; Liquidow; Peladow; Snomelt; Superflake anhydrous; CALCIUM CHLORIDE ACS REAGENT GRADE; Calcium chloride, anhydrous; 氯化钙, 干燥, 粉末; 氯化钙, 无水, 多孔; 氯化钙,超干; 氯化钙; 氯化钙, 无水,ACS; 氯化钙, 无水

Database IDs

• CAS Number: 14639-81-7; 10043-52-4
• EC Number: 233-140-8
• MDL Number: MFCD00010903
• Merck Index: 141659
• PubChem SID: 46507257; 160964498
• PubChem CID: 24854; 5284359
• CHEBI ID: 3312
• ATC CODE: G04BA03; B05XA07; A12AA07
• CHEMBL: 1200668
• Chemspider ID: 23237
• DrugBank ID: DB01164
• Unique Ingredient Identifier: OFM21057LP
• Wikipedia Title: Calcium_chloride

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.745 g/mL (at 20 oC); 74.5 g/100mL (20 °C) ; 59.5 g/100 mL (0 °C) in water; Freely soluble in water and alcohol; soluble in acetone, acetic acid
• Apperance: -10 Mesh Beads, Ampouled under argon; -4 Mesh; Granular powder; Liquid; Powder, Ampouled under argon; Powder, Packaged under argon; white powder ; hygroscopic
• Melting Point: 772 °C (anhydrous) ; 260 °C (monohydrate) ; 176 °C (dihydrate) ; 45.5 °C (tetrahydrate) ; 30 °C (hexahydrate); 782°C; ca. -20 °C
• Boiling Point: > 1600 °C at 1013 hPa; >1600°C; 1935 °C (anhydrous)
• Density: 1.34 g/cm^3 at 20 °C; 2.15; 2.15 g/cm^3 (anhydrous) ; 1.835 g/cm^3 (dihydrate); 1.83 g/cm^3 (tetrahydrate) ; 1.71 g/cm^3 (hexahydrate)
• Refractive Index: 1.52
• Vapor Pressure: Practically zero
• pKa: 8-9 (anhydrous) ; 6.5-8.0 (hexahydrate)
• Odor: odorless

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: EV9800000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36; R:36; R36
• Safety Statements: 22-24; S:22-24; S2, S22, S24
• TSCA Listed: 是
• EU Index: 017-013-00-2
• GHS Pictograms: GHS exclamation mark; GHS07
• NFPA704:
  

  0

  2

  1
• LD50: 1000 mg/kg (oral, rat)
• GHS Hazard statements: 319, 316, 302; H319
• GHS Precautionary statements: 264, 280, 270, 305+351+338, 337+313, 301+312, 330, 501; P280-P264-P305+P351+P338-P337+P313

Product Information

• Purity: ≥96%; 2.75% w/v aq. soln.; 93%; 96.0% min; 97%; 99.9% (metals basis); 99.99% (metals basis)
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02193819

Desiccant
ACS Reagent Grade
Purity: >96%

DrugBank - DB01164

• Drug Groups: approved
• Description: Calcium chloride is an ionic compound of calcium and chlorine. It is highly soluble in water and it is deliquescent. It is a salt that is solid at room temperature, and it behaves as a typical ionic halide. It has several common applications such as brine for refrigeration plants, ice and dust control on roads, and in cement. It can be produced directly from limestone, but large amounts are also produced as a by-product of the Solvay process. Because of its hygroscopic nature, it must be kept in tightly-sealed containers. [Wikipedia]
• Indication: For the treatment of hypocalcemia in those conditions requiring a prompt increase in blood plasma calcium levels, for the treatment of magnesium intoxication due to overdosage of magnesium sulfate, and used to combat the deleterious effects of hyperkalemia as measured by electrocardiographic (ECG), pending correction of the increased potassium level in the extracellular fluid.
• Pharmacology: Calcium is the fifth most abundant element in the body and the major fraction is in the bony structure. Calcium plays important physiological roles, many of which are poorly understood. It is essential for the functional integrity of the nervous and muscular systems. It is necessary for normal cardiac function and is one of the factors that operates in the mechanisms involved in the coagulation of blood.
• Toxicity: Too rapid injection may produce lowering of blood pressure and cardiac syncope. Persistent hypercalcemia from overdosage of calcium is unlikely because of rapid excretion.
• Affected Organisms: Humans and other mammals
• Biotransformation: Approximately 80% of body calcium is excreted in the feces as insoluble salts; urinary excretion accounts for the remaining 20%.
• Elimination: Approximately 80% of body calcium is excreted in the feces as insoluble salts; urinary excretion accounts for the remaining 20%.
• External Links: Wikipedia; RxList