Ferroin

C₃₆H₂₄FeN₆O₄SCAS 14634-91-4692.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₆H₂₄FeN₆O₄S
Molar mass: 692.53 g/mol
Exact mass: 692.0929 Da
logP: 7.01Crippen estimate
Polar surface area: 157.6 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P301+P317, P321, P330, P391, P405, P501

Identifiers

CAS number

14634-91-4

SMILES

O=S(=O)([O-])[O-].[Fe+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

InChIKey

CIWXFRVOSDNDJZ-UHFFFAOYSA-L

InChI

InChI=1S/3C12H8N2.Fe.H2O4S/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-5(2,3)4/h3*1-8H;;(H2,1,2,3,4)/q;;;+2;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Tris(1,10-phenanthroline)iron(2+) sulfate (1:1)
Iron(2+), tris(1,10-phenanthroline-κN1,κN10)-, (OC-6-11)-, sulfate (1:1)
Iron(2+), tris(1,10-phenanthroline)-, sulfate (1:1)
Iron(2+), tris(1,10-phenanthroline-N1,N10)-, (OC-6-11)-, sulfate (1:1)
Tris(1,10-phenanthroline)iron sulfate
Tris(o-phenanthroline)iron(2+) sulfate (1:1)
Tris(1,10-phenanthroline)iron(II) sulfate
Ferroin sulfate
1,10-Phenanthroline ferrous sulfate

Work with Ferroin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,10-Phenanthroline66-71-759 % similar Potassium 8-hydroxyquinoline bisulfate15077-57-358 % similar 1,10-Phenanthroline hydrochloride3829-86-553 % similar 4,5-Phenanthroline monohydrate5144-89-853 % similar Benzo[h]quinoline230-27-345 % similar 8-Quinolinesulfonyl chloride18704-37-545 % similar 8-Quinolinesulfonic acid85-48-345 % similar 2-Bromo-1,10-phenanthroline22426-14-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia