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Dicobalt Edetate (>90%)

CAT: 0572-TRC-D436680-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436680-5GSize:5 g
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CAS Number
36499-65-7
Synonyms
Cobalt [(Ethylenedinitrilo)tetraacetato]cobaltate(II); Ba 2724; Cobalt(2)-edathamil; Dicobalt EDTA; Dicobalt Ethylenediaminetetraacetate; EDTA Cobalt Salt; Kelocyanor; (OC-6-21)-[[N,N'-1,2-Ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']cobaltate(2-) Cobalt(2+) (1:1)
Hazard Statement
Harmful if swallowed
Smiles
CCCCCC/C=C\CCCCCCCC(=O)OCC1OC1
Molecular Formula
C10H12Co2N2O8
Molecular Weight
406.08
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dicobalt Edetate

Dicobalt edetate is a chemical compound of cobalt. It is used as an antidote to cyanide poisoning. Cobalt is a metallic element with the atomic number 27. It is found naturally in rocks, soil, water, plants, and animals. In small amounts cobalt is an essential element for life, as it is part of vitamin B12. However, excess exposure is known to exhibit toxic effects. (L29, L30, L37)

CAS Number36499-65-7
PubChem CID71942
IUPAC Name2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;bis(cobalt(2+))
Molecular FormulaC10H12Co2N2O8
Molecular Weight406.08
Topological Polar Surface Area167
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity293
SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Co+2].[Co+2]
InChI
InChI=1S/C10H16N2O8.2Co/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4
InChIKey
TWAWHTJKASJPEK-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Dicobalt Edetate
CAS: 36499-65-7
CID: 71942
Formula: C10H12Co2N2O8
MW: 406.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.08
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass405.925752
Monoisotopic Mass405.925752
Topological Polar Surface Area167 Ų
Heavy Atom Count22
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes