Prussian blue tetradecahydrate

HCID 182606CAS 39611-22-8
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Basic information

Standard SMILES
O.O.O.O.O.O.O.O.O.O.O.O.O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
InChIKey
QCXXVLLZJRBDNI-UHFFFAOYSA-N
Molecular formula
C18H28Fe7N18O14
Average molar mass
1,111.4 g/mol
Monoisotopic mass
1,111.74780008

Names & identifiers

Preferred name
Prussian blue tetradecahydrate
IUPAC
tris(iron(2+));tetrakis(iron(3+));octadecacyanide;tetradecahydrate

Names & synonyms

Prussian blue tetradecahydrate39611-22-8DTXSID50192722RefChem:1097076DTXCID90115213Iron(2+) iron(3+) cyanide--water (3/4/18/14)Ferrate(4-), hexakis(cyano-C)-, iron(3 ) (3:4), tetradecahydrate, (OC-6-11)-

Database identifiers

CAS
39611-22-8
PubChem CID
182606
DTXSID
DTXSID50192722

Properties

Computed structural properties

Topological polar surface area
442 Ų
Hydrogen bond donors
14
Hydrogen bond acceptors
50
Rotatable bonds
0
Heavy atoms
57

Related reactions

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