Research chemical
CAS Number: 77214-82-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
173580
Exact Mass
568.9697
InChIKey
FYMCOOOLDFPFPN-UHFFFAOYSA-K
IUPAC Name
iron(3+);tris(4-methylbenzenesulfonate)
SMILES String
O=S(C1=CC=C(C)C=C1)([O-])=O.O=S(C2=CC=C(C)C=C2)([O-])=O.O=S(C3=CC=C(C)C=C3)([O-])=O.[Fe+3]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Iron(III) 4-methylbenzenesulfonate is identified by CAS 77214-82-5, with molecular formula C21H21FeO9S3, molecular weight 569.43, InChIKey FYMCOOOLDFPFPN-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
34
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
3
Ring count
3
Aromatic rings
3
Topological polar surface area
171.6 Ų
Computed LogP
2.69
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
Research Catalog Compound - Transition Metal Catalyst or Complex (CAS 77214-82-5) is listed for transition metal catalyst or coordination-complex sourcing.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: metal-centered catalyst screening and ligand-set evaluation, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCertificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.