Research chemical
CAS Number: 72496-87-8
![Ferrate(1-), bis[3-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, sodium molecular structure, CAS 72496-87-8](/structure-images/72496-87-8.png?v=struct-v3)
Product details
PubChem CID
175072
Exact Mass
911.032511
InChIKey
FUBYQDWLXFMQRI-UHFFFAOYSA-L
IUPAC Name
sodium;4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide;iron(3+);3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfamoylphenyl)pyrazol-5-olate
SMILES String
CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Na+].[Fe+3]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Ferrate(1-), bis[3-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, sodium is identified by CAS 72496-87-8, with molecular formula C32H24FeN12NaO12S2, molecular weight 911.6, InChIKey FUBYQDWLXFMQRI-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
60
H-bond acceptors
24
H-bond donors
4
Rotatable bonds
9
Ring count
6
Aromatic rings
4
Topological polar surface area
375.94 Ų
Computed LogP
-1.53
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Ferrate(1-), bis[3-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, sodium (CAS 72496-87-8) is maintained as a commercial cas reference with formula C32H24FeN12NaO12S2, molecular weight 911.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.