Research chemical
CAS Number: 129-16-8
![Disodium (2',7'-dibromo-3',6'-dioxido-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-4'-yl)hydroxidomercurate(2-) molecular structure, CAS 129-16-8](/structure-images/129-16-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
8505
Exact Mass
752.82472
InChIKey
BFMYDTVEBKDAKJ-UHFFFAOYSA-L
IUPAC Name
disodium;(2',7'-dibromo-3',6'-dioxido-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)mercury;hydrate
SMILES String
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=C(C(=C(C=C35)Br)[O-])[Hg])[O-])Br.O.[Na+].[Na+]
No physical property values available.
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.
Disodium (2',7'-dibromo-3',6'-dioxido-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-4'-yl)hydroxidomercurate(2-) is identified by CAS 129-16-8, with molecular formula C20H9Br2HgNa2O6, molecular weight 751.7, InChIKey BFMYDTVEBKDAKJ-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
0
Ring count
5
Aromatic rings
3
Topological polar surface area
113.15 Ų
Computed LogP
-3.72
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
No
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
Disodium (2',7'-dibromo-3',6'-dioxido-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-4'-yl)hydroxidomercurate(2-) (CAS 129-16-8) is maintained as a commercial cas reference with formula C20H9Br2HgNa2O6, molecular weight 751. 70 g/mol, PubChem CID 8505.
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 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.