<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 01:45:13 UTC</creation_date>
  <update_date>2026-04-17 19:02:48 UTC</update_date>
  <accession/>
  <common_name>Titanium chloride (TiCl4) (T-4)-</common_name>
  <class>SmallMolecule</class>
  <description>Titanium chloride (TiCl4) (T-4)- belongs to the transition metal chlorides, a subclass of transition salts within the inorganic compounds. This mixed metal/non-metal compound has the formula Cl4Ti and an average molecular weight of 189.67 g/mol.

In industrial and biological contexts, the compound serves as a Lewis acid (PMC10048798, PMC11804845). Its industrial roles include serving as a catalyst (PMC10048798, PMC11613618), an intermediate (PMC10048798, PMC11613618), and an electron acceptor (PMC10489960). Titanium chloride (TiCl4) (T-4)- is found in or released from 23 recorded sources. These sources include electrical and electronic equipment, specifically communication cables or conductors, antennas, cores yokes or armatures, discharge lamps, discharge tubes with liquid pool cathodes, and 11 others. It is also associated with building and construction materials such as stairs and ramps, ceilings, and tents or canopies. Additionally, it is found in household cleaning and consumer products, including tobacco smoke filters and cigar cigarettes, as well as in food, food processing and cookware, specifically the preparation of vinegar and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Titanium tetrachloride</synonym>
  </synonyms>
  <chemical_formula>Cl4Ti</chemical_formula>
  <average_molecular_weight>189.67</average_molecular_weight>
  <monisotopic_moleculate_weight>187.823353</monisotopic_moleculate_weight>
  <iupac_name>titanium(4+) ion tetrachloride</iupac_name>
  <traditional_iupac>titanium(4+) ion tetrachloride</traditional_iupac>
  <cas_registry_number>7550-45-0</cas_registry_number>
  <smiles>[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]</smiles>
  <inchi>InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4</inchi>
  <inchikey>XJDNKRIXUMDJCW-UHFFFAOYSA-J</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Transition metal salts</class>
    <sub_class>Transition metal chlorides</sub_class>
    <direct_parent>Transition metal chlorides</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic chloride salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic chloride salt</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Transition metal chloride</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.03</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.35</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>8.47e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.61</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>titanium(4+) ion tetrachloride</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>189.67</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>187.823353</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>Cl4Ti</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XJDNKRIXUMDJCW-UHFFFAOYSA-J</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>5.62</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>2.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>24193</pubchem_compound_id>
  <chembl_id/>
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</compound>
