Np mrd loader

Record Information
Version2.0
Created at2024-09-09 21:29:19 UTC
Updated at2024-09-09 21:29:19 UTC
NP-MRD IDNP0333970
Secondary Accession NumbersNone
Natural Product Identification
Common NameCobaltous chloride
DescriptionFormerly approved as a food additive but now prohibited
Structure
Thumb
Synonyms
ValueSource
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
Chemical FormulaCl2Co
Average Mass129.8390 Da
Monoisotopic Mass128.87091 Da
IUPAC Nameλ²-cobalt(2+) ion dichloride
Traditional Nameλ²-cobalt(2+) ion dichloride
CAS Registry NumberNot Available
SMILES
[Cl-].[Cl-].[Co++]
InChI Identifier
InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2
InChI KeyGVPFVAHMJGGAJG-UHFFFAOYSA-L
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
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
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
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
HMDB IDHMDB0035661
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014377
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCobalt(II)_chloride
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID35696
Good Scents IDNot Available
References
General References
  1. Belloni Fortina A, Romano I, Peserico A, Eichenfield LF: Contact sensitization in very young children. J Am Acad Dermatol. 2011 Oct;65(4):772-779. doi: 10.1016/j.jaad.2010.07.030. Epub 2011 May 25. [PubMed:21616561 ]
  2. Cohen HA: The role of carrier in sensitivity to chromium and cobalt. Arch Dermatol. 1976 Jan;112(1):37-9. [PubMed:1108802 ]
  3. Ha JS, Park SS: Glutamate-induced oxidative stress, but not cell death, is largely dependent upon extracellular calcium in mouse neuronal HT22 cells. Neurosci Lett. 2006 Jan 30;393(2-3):165-9. doi: 10.1016/j.neulet.2005.09.056. Epub 2005 Oct 17. [PubMed:16229947 ]
  4. Yamano T, Shimizu M, Noda T: Allergenicity and cross-reactivity of naphthenic acid and its metallic salts in experimental animals. Contact Dermatitis. 2006 Jan;54(1):25-8. doi: 10.1111/j.0105-1873.2006.00728.x. [PubMed:16426290 ]
  5. Wongpiyabovorn J, Puvabanditsin P: Result of standard patch test in patients suspected of having allergic contact dermatitis. J Med Assoc Thai. 2005 Sep;88 Suppl 4:S177-83. [PubMed:16623025 ]
  6. Marinovic-Kulisic S, Lipozencic J, Pastar Z: Contact allergy and sociodemographic characteristics. Coll Antropol. 2006 Jun;30(2):273-8. [PubMed:16848139 ]
  7. Jin W, Wang J, Xu S, Xiao L, Chen G, Zhang W, Li J: Radioprotective effect on HepG2 cells of low concentrations of cobalt chloride: induction of hypoxia-inducible factor-1 alpha and clearance of reactive oxygen species. J Radiat Res. 2013 Mar 1;54(2):203-9. doi: 10.1093/jrr/rrs086. Epub 2012 Oct 11. [PubMed:23065176 ]
  8. Ueira-Vieira C, Tavares RR, Morelli S, Pereira BB, Silva RP, Torres-Mariano AR, Kerr WE, Bonetti AM: Cobalt chloride induces metaphase when topically applied to larvae and pupae of the stingless bee Melipona scutellaris (Hymenoptera, Apidae, Meliponini). Genet Mol Res. 2013 Jun 20;12(2):2032-7. doi: 10.4238/2013.February.6.1. [PubMed:23420403 ]