Research chemical
Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate
CAS Number: 870245-75-3
![Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate molecular structure, CAS 870245-75-3](/structure-images/870245-75-3.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C26H34NaO5PS
- Molecular weight
- 512.57 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
23677046
Exact Mass
512.17622
InChIKey
YKLJDMCXKMIXBD-UHFFFAOYSA-M
IUPAC Name
sodium 3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate
SMILES String
O=S(C1=C(OC)C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)=C(OC)C=C1)([O-])=O.[Na+]
Physical Properties
Appearance
White to pale yellow powder or crystal
Physical State
powder or crystal
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
34
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
7
Ring count
4
Aromatic rings
2
Topological polar surface area
75.66 Ų
Computed LogP
3.05
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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.
Catalog Facts
Structural features
Research Catalog Compound with Phosphine Ligand (CAS 870245-75-3) is listed for phosphine ligand sourcing for catalyst or coordination screening.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, 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.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
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 RequestProcurement questions
What are the key identifiers for Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate (CAS 870245-75-3)?
Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate is identified by CAS 870245-75-3, with molecular formula C26H34NaO5PS, molecular weight 512.57, InChIKey YKLJDMCXKMIXBD-UHFFFAOYSA-M.
Can I request a COA for CAS 870245-75-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 870245-75-3 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.