Bis(9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) dicopper(1+) hexa(cyano-C)ferrate(4-)
Basic information
- CAS
79665-42-2- Standard SMILES
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+].[Cu+].[Fe+2]- InChIKey
QJTHTIKJWBNCOV-UHFFFAOYSA-P- Molecular formula
- C62H62Cu2FeN10O6
- Average molar mass
- 1,226.2 g/mol
- Monoisotopic mass
- 1,224.27951
Names & identifiers
- Preferred name
- Bis(9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) dicopper(1+) hexa(cyano-C)ferrate(4-)
- IUPAC
- bis([9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium);bis(copper(1+));iron(2+);hexacyanide
Names & synonyms
EINECS 279-229-5Bis(9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) dicopper(1+) hexa(cyano-C)ferrate(4-)79665-42-2Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, copper(1++) (OC-6-11)-hexakis(cyano-C)ferrate(4-) (2:2:1)Bis[9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium] dicopper(1+) hexa(cyano-C)ferrate(4-)RefChem:120172279-229-5DTXSID701029945
Database identifiers
- CAS
79665-42-2- PubChem CID
- 74996
- DTXSID
DTXSID701029945- EC Number
- 279-229-5
Properties
Computed structural properties
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 14
- Heavy atoms
- 81
- Formal charge
- 0
- Complexity
- 821
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, copper(1+) (OC-6-11)-hexakis(cyano-C)ferrate(4-) (2:2:1)
Hazard Classes and CategoriesEye Dam. 1 (100%)
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Compound notes
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