Cobaltous chloride (CHEM000586)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (36)XML
Record Information
Version1.0
Creation Date2009-03-22 00:59:56 UTC
Update Date2026-05-14 19:42:07 UTC
Accession NumberCHEM000586
Identification
Common NameCobaltous chloride
ClassSmall Molecule
DescriptionFormerly approved as a food additive but now prohibited
Cobaltous 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.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 2B
  • OECD HPV Chemicals
  • T3DB toxins
Contaminant Type
  • Cobalt Compound
  • Food Toxin
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metabolite
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Cobalt chlorideChEBI
Cobalt muriateChEBI
Cobaltous chloride anhydrousChEBI
Cobaltous dichlorideChEBI
CoCl2ChEBI
DichlorocobaltChEBI
Kobalt chloridChEBI
Kobalt(II)-chloridChEBI
KobaltdichloridChEBI
Cobalt muriic acidGenerator
CoCl(2)MeSH
Cobalt(II)chlorideMeSH
Cobalt dichlorideMeSH
Chemical FormulaCl2Co
Average Molecular Mass129.839 g/mol
Monoisotopic Mass128.871 g/mol
CAS Registry Number7646-79-9
IUPAC Namelambda2-cobalt(2+) dichloride
Traditional Nameλ²-cobalt(2+) ion dichloride
SMILES[Cl-].[Cl-].[Co++]
InChI IdentifierInChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2
InChI KeyGVPFVAHMJGGAJG-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 RolesNot Available
Physical Properties
StateSolid
AppearanceBlue solid.
Experimental Properties
PropertyValue
Melting Point735°C
Boiling Point1049°C
SolubilityNot Available
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-d4f18511ec47f37c9503Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-d4f18511ec47f37c9503Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-d4f18511ec47f37c9503Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-3dfe860fe2ed5692f457Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-3dfe860fe2ed5692f457Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-3dfe860fe2ed5692f457Spectrum
Toxicity Profile
Route of ExposureInhalation (2) ; oral (2) ; dermal (2)
Mechanism of ToxicityCobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (2)
MetabolismCobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (2)
Toxicity ValuesLD50: 80 mg/kg (Oral, Rat) (8) LD50: 17 mg (Intraperitoneal, Rat) (8) LD50: 20 mg/kg (Intravenous, Rat) (8)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)2B, possibly carcinogenic to humans. (6)
Uses/SourcesCobalt(II) chloride is used to detect the prescence of water. (4)
Minimum Risk LevelChronic Inhalation: 0.0001 mg/m3 (5) Intermediate Oral: 0.01 mg/kg/day (5)
Health EffectsExposure to high amount of cobalt can cause heart, lung, kidney, and liver damage. Skin contact is known to result in contact dermatitis. Cobalt may also have mutagenic and carcinogenic effects. (2, 3)
SymptomsCobalt inhalation can cause asthma-like breathing problems. Skin contact is known to result in contact dermatitis, which is characterized by irritation and rashes. Ingesting large amounts of cobalt may cause nausea and vomiting. (7)
TreatmentTreatment of cobalt poisoning is symptomatic. (2)
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0035661
FooDB IDFDB014377
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCobalt(II)_chloride
Chemspider ID22708
ChEBI ID35696
PubChem Compound ID24288
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1108802
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11207315
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=16229947
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=16426290
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=16623025
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=16848139
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=18837732
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=21616561
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=23065176
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=23420403
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=23542142
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=23566873
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=23568501
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=23651544
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=23694759
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=29079364
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=7615984
18. https://www.ncbi.nlm.nih.gov/pubmed/?term=8566016