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36499-65-7

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Basic Information
CAS No.: 36499-65-7
Name: dicobalt edetate
Molecular Structure:
Molecular Structure of 36499-65-7 (dicobalt edetate)
Formula: C10H12 Co N2 O8 . Co
Molecular Weight: 406.10
Synonyms: Cobalt[(ethylenedinitrilo)tetraacetato]cobaltate(II) (6CI,7CI);Cobaltate(2-),[[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-,cobalt(2+) (1:1), (OC-6-21)-;Ba 2724;Cobalt(2)-edathamil;Dicobalt EDTA;Dicobalt edetate;Dicobalt ethylenediaminetetraacetate;EDTA cobalt salt;Kelocyanor;
EINECS: 253-067-5
Density: g/cm3
Boiling Point: 614.2°Cat760mmHg
Flash Point: 325.2°C
Safety: Poison by intravenous and intraperitoneal routes. See also COBALT COMPOUNDS. When heated to decomposition it emits toxic fumes of NOx.
PSA: 167.00000
LogP: -7.41000
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Chemistry

Molecule structure of Dicobalt edetate (CAS NO.36499-65-7):

IUPAC Name: 2-[2-[Bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; cobalt(2+) 
Molecular Weight: 406.07728 g/mol
Molecular Formula: C10H12Co2N2O8 
Boiling Point: 614.2 °C at 760 mmHg
Flash Point: 325.2 °C
Enthalpy of Vaporization: 99.5 kJ/mol
Vapour Pressure: 1.15E-16 mmHg at 25 °C
H-Bond Acceptor: 10
Rotatable Bond Count: 7
Exact Mass: 405.925766
MonoIsotopic Mass: 405.925766
Topological Polar Surface Area: 167
Heavy Atom Count: 22 
Complexity: 293
Canonical 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
EINECS: 253-067-5

Uses

 Solutions of Dicobalt edetate (CAS NO.36499-65-7) have been used as an antidote to cyanide poisoning in Europe.

Toxicity Data With Reference

1.    

ipr-rat LD50:100 mg/kg

     AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 243 (1962),254.
2.    

ivn-rat LD50:43 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 143 (1963),219.

Consensus Reports

Cobalt and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by intravenous and intraperitoneal routes. See also COBALT COMPOUNDS. When heated to decomposition it emits toxic fumes of NOx.

Standards and Recommendations

NIOSH REL: (Cobalt) TWA Insufficient evidence for recommending limit

Specification

 Dicobalt edetate (CAS NO.36499-65-7) is also named as Ba 2724 ; Cobalt ((ethylenedinitrilo)tetraacetato)cobaltate(II) ; Cobalt (2)-edathamil ; Cobalt(2+)((ethylenedinitrilo)tetraacetato)cobaltate(2-) ; Cobaltate(2-), ((ethylenedinitrilo)tetraacetato(2-))-, cobalt(2+) salt ; Cobaltous EDTA ; Dicobalt EDTA ; Dicobalt eINtate ; Dicobalti edetas ; Dicobalti edetas [INN-Latin] ; Dikobalt aethylendiamtetraacetat ; Dikobalt aethylendiamtetraacetat [German] ; EDTA cobalt salt ; Edetate dicobaltique ; Edetate dicobaltique [INN-French] ; Edetato dicobaltico ; Edetato dicobaltico [INN-Spanish] ; Kelocyanor
Kobalt-edta ; Kobalt-edta [German] ; UNII-UKC6GH80QR .