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15275-07-7

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Basic Information
CAS No.: 15275-07-7
Name: Fe(III)-EDTA
Article Data: 10
Molecular Structure:
Molecular Structure of 15275-07-7 (Fe(III)-EDTA)
Formula: C10H12FeN2O8
Molecular Weight: 344.061
Synonyms: Ferrate(1-),[(ethylenedinitrilo)tetraacetato]- (8CI);Ferrate(1-),[[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-,(OC-6-21)-;(Ethylenediaminetetraacetato)ferrate(1-);Ferric versenate;IronEDTA;Iron(III) ethylenediaminetetraacetate;Iron(III)ethylenediaminetetraacetic acid;Iron(III)-EDTA;Iron(III)-EDTA complex;[(Ethylenedinitrilo)tetraacetato]ferrate(1-);
EINECS: 241-171-3
Boiling Point: 614.2 °C at 760 mmHg
Flash Point: 325.2 °C
PSA: 167.00000
LogP: -7.41250
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Specification

The CAS registry number of Iron(III)-edta complex is 15275-07-7. The IUPAC name is acetate, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-, iron(3+) salt (1:1). In addition, the molecular formula is C10H12FeN2O8 and the molecular weight is 344.06.

Physical properties about this chemical are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 155.68 Å2; (7)Flash Point: 325.2 °C; (8)Enthalpy of Vaporization: 99.5 kJ/mol; (9)Boiling Point: 614.2 °C at 760 mmHg; (10)Vapour Pressure: 1.15E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+3].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
(2)InChI: InChI=1/C10H16N2O8.Fe/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;+3/p-4
(3)InChIKey: UOMQUZPKALKDCA-XBHQNQODAK

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Pathologie et Biologie. Vol. 11, Pg. 853, 1963.