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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:50, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 477011586 of page Calcium_chloride for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:50, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 477011586 of page Calcium_chloride for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 477011586 of page Calcium_chloride with values updated to verified values.
Calcium chloride
Calcium chloride
Names
IUPAC name Calcium chloride
Other names Calcium(II) chloride,
Calcium dichloride,
E509
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
DrugBank
EC Number
  • 233-140-8
PubChem CID
RTECS number
  • EV9800000
UNII
InChI
  • InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2Key: UXVMQQNJUSDDNG-UHFFFAOYSA-L
  • InChI=1/Ca.2ClH/h;2*1H/q+2;;/p-2Key: UXVMQQNJUSDDNG-NUQVWONBAG
SMILES
  • ..
Properties
Chemical formula CaCl2
Appearance white powder
hygroscopic
Odor odorless
Density 2.15 g/cm (anhydrous)
1.835 g/cm (dihydrate)
1.83 g/cm (tetrahydrate)
1.71 g/cm (hexahydrate)
Melting point 772 °C (anhydrous)
260 °C (monohydrate)
176 °C (dihydrate)
45.5 °C (tetrahydrate)
30 °C (hexahydrate)
Boiling point 1935 °C (anhydrous)
Solubility in water 74.5 g/100mL (20 °C)
59.5 g/100 mL (0 °C)
Solubility soluble in acetone, acetic acid
Acidity (pKa) 8-9 (anhydrous)
6.5-8.0 (hexahydrate)
Refractive index (nD) 1.52
Structure
Crystal structure Orthorhombic (deformed rutile), oP6
trigonal (hexahydrate)
Space group Pnnm, No. 58
Coordination geometry octahedral, 6-coordinate
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 0: Will not burn. E.g. waterInstability 1: Normally stable, but can become unstable at elevated temperatures and pressures. E.g. calciumSpecial hazards (white): no code
2 0 1
Lethal dose or concentration (LD, LC):
LD50 (median dose) 1000 mg/kg (oral, rat)
Related compounds
Other anions calcium fluoride
calcium bromide
calcium iodide
Other cations Beryllium chloride
Magnesium chloride
Strontium chloride
Barium chloride
Radium chloride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound
  1. Pradyot Patnaik. Handbook of Inorganic Chemicals. McGraw-Hill, 2002, ISBN 0-07-049439-8