Record Information
Version1.0
Creation date2010-04-08 22:10:44 UTC
Update date2015-10-09 22:33:42 UTC
Primary IDFDB013485
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameZinc chloride
DescriptionNutrient 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.
CAS Number7646-85-7
Structure
Thumb
Synonyms
SynonymSource
Butter OF zincChEBI
Chlorure de zincChEBI
DichlorozincChEBI
Zinc chloride, anhydrousChEBI
ZinkchloridChEBI
ZNCL2ChEBI
HexiteMeSH
Zinc chloride, (65)ZN-labeledMeSH
Butter of zincbiospider
Hydrochloric acid zinc salt (2:1)biospider
Tinning fluxbiospider
Zinc (chlorure de)biospider
Zinc butterbiospider
Zinc chloride (JP15/USP)biospider
Zinc chloride (TN)biospider
Zinc chloride (ZnCl2)biospider
Zinc chloride [usan:jan]biospider
Zinc chloride fumebiospider
zinc chloride, (65)Zn-labeledbiospider
Zinc chloride, anhydrous [UN2331] [Corrosive]biospider
Zinc dichloridebiospider
Zinc muriatebiospider
Zinc(II) chloridebiospider
Zincobiospider
Zinco (cloruro di)biospider
Zinctracedb_source
Zine dichloridebiospider
Zinkchlorid (german)biospider
Zinkchloridebiospider
Zintracebiospider
ZnCl2biospider
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaCl2Zn
IUPAC namezinc(2+) ion dichloride
InChI IdentifierInChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
InChI KeyJIAARYAFYJHUJI-UHFFFAOYSA-L
Isomeric SMILES[Cl-].[Cl-].[Zn++]
Average Molecular Weight136.315
Monoisotopic Molecular Weight133.866851992
Classification
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
Ontology
Physiological effect

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Disposition

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Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCl 52.02%; Zn 47.98%DFC
Melting PointMp 318°DFC
Boiling PointBp 732°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-af8226cbc0f4547e5fc1Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-af8226cbc0f4547e5fc1Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0900000000-af8226cbc0f4547e5fc1Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-b91e9cd9af0982c421c6Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-b91e9cd9af0982c421c6Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-b91e9cd9af0982c421c6Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID5727
Pubchem Substance IDNot Available
ChEBI ID49976
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34904
CRC / DFC (Dictionary of Food Compounds) IDJDD03-F:JDD03-F
EAFUS ID3904
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDZinc_chloride
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference