Record Information
Version1.0
Creation date2010-04-08 22:11:14 UTC
Update date2015-10-09 22:33:45 UTC
Primary IDFDB014377
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCobaltous chloride
DescriptionCobaltous chloride, also known as cobalt muriate or COCL2, 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. Cobaltous chloride is an extremely strong acidic compound (based on its pKa). Cobaltous chloride is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound.
CAS Number7646-79-9
Structure
Thumb
Synonyms
SynonymSource
Cobalt chlorideChEBI
Cobalt muriateChEBI
Cobaltous chloride anhydrousChEBI
Cobaltous dichlorideChEBI
CoCl2ChEBI
DichlorocobaltChEBI
Kobalt chloridChEBI
Kobalt(II)-chloridChEBI
KobaltdichloridChEBI
Cobalt muriic acidGenerator
Cobalt dichlorideMeSH
CoCl(2)MeSH
Cobalt(II)chlorideMeSH
Cobalt chloride (CoCl2)biospider
Cobalt chloride (ous)biospider
Cobalt chloride?db_source
Cobalt(2+) chloridebiospider
cobalt(2+) dichloridebiospider
Cobalt(II) chloridebiospider
Cobaltous chloridedb_source
Cobaltous Chloride Co 57biospider
Cobaltous chloride, anhydrousbiospider
Cobatope-57db_source
Cobatope-60db_source
Kobalt chlorid (german)biospider
Predicted Properties
PropertyValueSource
Water Solubility35.3 g/LALOGPS
logP0.95ALOGPS
logP0.61ChemAxon
logS-0.57ALOGPS
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 FormulaCl2Co
IUPAC nameλ²-cobalt(2+) ion dichloride
InChI IdentifierInChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2
InChI KeyGVPFVAHMJGGAJG-UHFFFAOYSA-L
Isomeric SMILES[Cl-].[Cl-].[Co++]
Average Molecular Weight129.839
Monoisotopic Molecular Weight128.870905608
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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Process

Naturally occurring process:

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Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCl 54.61%; Co 45.39%DFC
Melting PointMp 735°DFC
Boiling PointBp 1049°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, Positivesplash10-004i-0900000000-d4f18511ec47f37c9503Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-d4f18511ec47f37c9503Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-d4f18511ec47f37c9503Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-3dfe860fe2ed5692f457Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-3dfe860fe2ed5692f457Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-3dfe860fe2ed5692f457Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID3032536
Pubchem Substance IDNot Available
ChEBI ID35696
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35661
CRC / DFC (Dictionary of Food Compounds) IDJPW94-E:JPW94-E
EAFUS ID724
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 IDNot Available
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
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference