Research chemical
CAS Number: 61916-41-4
![Chromate(3-), bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, trisodium molecular structure, CAS 61916-41-4](/structure-images/61916-41-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
162953
Exact Mass
963.031144
InChIKey
OTFBCUKLFXRMQQ-UHFFFAOYSA-H
IUPAC Name
trisodium;chromium(3+);bis(4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate)
SMILES String
CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Na+].[Na+].[Na+].[Cr+3]
Catalog navigation
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Chromate(3-), bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, trisodium is identified by CAS 61916-41-4, with molecular formula C40H26CrN8Na3O10S2, molecular weight 963.8, InChIKey OTFBCUKLFXRMQQ-UHFFFAOYSA-H.
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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
64
H-bond acceptors
18
H-bond donors
0
Rotatable bonds
8
Ring count
8
Aromatic rings
8
Topological polar surface area
291.72 Ų
Computed LogP
-3.39
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
Chromate(3-), bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, trisodium (CAS 61916-41-4) is maintained as a commercial cas reference with formula C40H26CrN8Na3O10S2, molecular weight 963.
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.