Zinc chloride (T3D0726)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (2)XML
Targets (2)
Record Information
Version2.0
Creation Date2009-03-27 00:41:40 UTC
Update Date2014-12-24 20:22:41 UTC
Accession NumberT3D0726
Identification
Common NameZinc chloride
ClassSmall Molecule
DescriptionZinc chloride is a nutrient supplement A number of salts containing the tetrachlorozincate anion, ZnCl2 4, are known. Caulton's reagent, V2Cl3(thf)6Zn2Cl6 is an example of a salt containing Zn2Cl2 6. The compound Cs3ZnCl5 contains tetrahedral ZnCl2 4 and Cl anions. No compounds containing the ZnCl4 6 ion have been characterized. Four crystalline forms, (polymorphs) , of ZnCl2 are known, and in each case the Zn2+ ions are trigonal planar coordinated to four chloride ions. The pure anhydrous orthorhombic form rapidly changes to one of the other forms on exposure to the atmosphere and a possible explanation is that the presence of OH facilitates the rearrangement. Rapid cooling of molten ZnCl2 gives a glass, that is, a rigid amorphous solid and this ability has been related to the structure in the melt.
Zinc chloride belongs to the family of Transition Metal Chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.
Compound Type
  • Cosmetic Toxin
  • Food Toxin
  • Household Toxin
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metabolite
  • Synthetic Compound
  • Zinc Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Butter of zinc
Dichlorozinc
Hexite
Hydrochloric acid zinc salt (2:1)
Tinning flux
Zinc butter
Zinc dichloride
Zinc muriate
Zinc(II) chloride
Zinco
Zinco (cloruro di)
Zinctrace
Zine dichloride
Zinkchloride
Zintrace
ZnCl2
Chemical FormulaCl2Zn
Average Molecular Mass136.315 g/mol
Monoisotopic Mass133.867 g/mol
CAS Registry Number7646-85-7
IUPAC Namezinc(2+) ion dichloride
Traditional Namezinc(2+) ion dichloride
SMILES[Cl-].[Cl-].[Zn++]
InChI IdentifierInChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
InChI KeyInChIKey=JIAARYAFYJHUJI-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal salts
Sub ClassTransition metal chlorides
Direct ParentTransition metal chlorides
Alternative Parents
Substituents
  • Transition metal chloride
  • Inorganic chloride salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological Roles
Chemical Roles
Physical Properties
StateSolid
AppearanceWhite crystals.
Experimental Properties
PropertyValue
Melting Point318°C
Boiling Point732°C (1349.6°F)
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
Water Solubility46.1 g/LALOGPS
logP0.91ALOGPS
logP0.61ChemAxon
logS-0.47ALOGPS
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-af8226cbc0f4547e5fc12016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-af8226cbc0f4547e5fc12016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0900000000-af8226cbc0f4547e5fc12016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-b91e9cd9af0982c421c62016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-b91e9cd9af0982c421c62016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-b91e9cd9af0982c421c62016-08-03View Spectrum
Toxicity Profile
Route of ExposureInhalation (6) ; oral (6) ; dermal (6)
Mechanism of ToxicityAnaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (5, 6, 1)
MetabolismZinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (6)
Toxicity ValuesLD50: 350 mg/kg (Oral, Rat) (2) LD50: 58 mg/kg (Intraperitoneal, Rat) (2) LD50: 330 mg/kg (Subcutaneous, Mouse) (3) LC50: 1,975 mg/m3 over 10 minutes (Inhalation, Rat) (3)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesZinc chloride is used in textile processing, metallurgical fluxes, and chemical synthesis. (7)
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (9) Chronic Oral: 0.3 mg/kg/day (9)
Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (6)
SymptomsIngestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (6)
TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (6)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB34904
PubChem Compound ID5727
ChEMBL IDCHEMBL1200679
ChemSpider ID5525
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI ID49976
BioCyc IDNot Available
CTD IDC016837
Stitch IDZinc chloride
PDB IDNot Available
ACToR ID12134
Wikipedia LinkZinc_chloride
References
Synthesis ReferenceNot Available
MSDSLink
General References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]
  2. Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc.
  3. European Chemicals Bureau (2004). EU Risk Assessment Report- Zinc chloride, Vol.45.
  4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
  5. Wikipedia. Zinc. Last Updated 24 March 2009. [Link]
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2005). Toxicological profile for zinc. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  7. Wikipedia. Zinc chloride. Last Updated 16 March 2009. [Link]
  8. Wikipedia. Metallothionein. Last Updated 20 December 2008. [Link]
  9. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated Genes
GeneGene SymbolGene IDInteractionChromosomeDetails
Down-Regulated Genes
GeneGene SymbolGene IDInteractionChromosomeDetails

Targets

Target Details
1. Superoxide dismutase [Cu-Zn]
General Function:
Zinc ion binding
Specific Function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
SOD1
Uniprot ID:
P00441
Molecular Weight:
15935.685 Da
References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]
Target Details
2. Utrophin
General Function:
Zinc ion binding
Specific Function:
May play a role in anchoring the cytoskeleton to the plasma membrane.
Gene Name:
UTRN
Uniprot ID:
P46939
Molecular Weight:
394463.09 Da
References
  1. Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77. [17009962 ]