Research chemical
CAS Number: 68541-71-9
![Chromate(2-), [4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]-1-naphthalenesulfonato(3-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, disodium molecular structure, CAS 68541-71-9](/structure-images/68541-71-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
163243
Exact Mass
790.987645
InChIKey
XOAMKSOTMVKAGY-UHFFFAOYSA-K
IUPAC Name
disodium;chromium(3+);3-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-4-oxonaphthalene-1-sulfonate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SMILES String
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C(=CC(=NN=C3C=CC(=CC3=O)N([O-])[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Cr+3]
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Chromate(2-), [4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]-1-naphthalenesulfonato(3-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, disodium is identified by CAS 68541-71-9, with molecular formula C32H17CrN6Na2O11S, molecular weight 791.6, InChIKey XOAMKSOTMVKAGY-UHFFFAOYSA-K.
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.
Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
53
H-bond acceptors
17
H-bond donors
0
Rotatable bonds
6
Ring count
6
Aromatic rings
4
Topological polar surface area
279.4 Ų
Computed LogP
-1.8
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
60 g/mol, PubChem CID 163243.
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.