<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:49 UTC</creation_date>
  <update_date>2025-11-19 00:54:47 UTC</update_date>
  <accession>FDB015403</accession>
  <name>Sinjarite</name>
  <description>Calcium chloride is an irritant, particularly on moist skin.; Calcium chloride, CaCl2, is a common salt. It behaves as a typical ionic halide, and is solid at room temperature. It has several common applications such as brine for refrigeration plants, ice and dust control on roads, and in concrete. The anhydrous salt is also widely used as a desiccant, where it will adsorb so much water that it will eventually dissolve in its own crystal lattice water. 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, the anhydrous form must be kept in tightly-sealed containers. It is used to turn kelp into a solid.</description>
  <synonyms>
    <synonym>Cal plus</synonym>
    <synonym>Calcium chloride (usp)</synonym>
    <synonym>Calcium chloride [usan:jan]</synonym>
    <synonym>Calcium chloride 10% in plastic container</synonym>
    <synonym>Calcium chloride hydrate</synonym>
    <synonym>Calcium chloride hydrate (JP15)</synonym>
    <synonym>Calcium dichloride dihydrate</synonym>
    <synonym>Conclyte-ca</synonym>
    <synonym>Conclyte-ca (TN)</synonym>
    <synonym>Replenisher (calcium)</synonym>
    <synonym>Sinjarite</synonym>
  </synonyms>
  <chemical_formula>CaCl2H4O2</chemical_formula>
  <average_molecular_weight>147.015</average_molecular_weight>
  <monisotopic_moleculate_weight>145.921425941</monisotopic_moleculate_weight>
  <iupac_name>calcium dihydrate dichloride</iupac_name>
  <traditional_iupac>calcium dihydrate dichloride</traditional_iupac>
  <cas_registry_number>10035-04-8</cas_registry_number>
  <smiles>O.O.[Cl-].[Cl-].[Ca++]</smiles>
  <inchi>InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2</inchi>
  <inchikey>LLSDKQJKOVVTOJ-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.</description>
    <direct_parent>Alkaline earth metal chlorides</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkaline earth metal salts</class>
    <sub_class>Alkaline earth metal chlorides</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic calcium salts</alternative_parent>
      <alternative_parent>Inorganic chloride salts</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkaline earth metal chloride</substituent>
      <substituent>Inorganic calcium salt</substituent>
      <substituent>Inorganic chloride salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>calcium salt</external_descriptor>
      <external_descriptor>hydrate</external_descriptor>
      <external_descriptor>inorganic chloride</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>772 °C (anhydrous) 260 °C (monohydrate) 176 °C (dihydrate) 45.5 °C (tetrahydrate) 30 °C (hexahydrate)</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.65</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>15.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-1.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>calcium dihydrate dichloride</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>147.015</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>145.921425941</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O.O.[Cl-].[Cl-].[Ca++]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>CaCl2H4O2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>LLSDKQJKOVVTOJ-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>25.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>3.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>1.51</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id>HMDB36506</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
