Research chemical
Sodium 3,3',3''-phosphinetriyltribenzenesulfonate
CAS Number: 63995-70-0
Product details
Identity & specification
- Molecular formula
- C18H12Na3O9PS3
- Molecular weight
- 568.42 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
6099338
Exact Mass
567.90741
InChIKey
MYAJTCUQMQREFZ-UHFFFAOYSA-K
IUPAC Name
trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
SMILES String
O=S(C1=CC=CC(P(C2=CC(S(=O)([O-])=O)=CC=C2)C3=CC(S(=O)([O-])=O)=CC=C3)=C1)([O-])=O.[Na+].[Na+].[Na+]
Physical Properties
Appearance
White to yellow powder or crystals
Physical State
powder or crystals 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
9
H-bond donors
0
Rotatable bonds
6
Ring count
3
Aromatic rings
3
Topological polar surface area
171.6 Ų
Computed LogP
-8.83
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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 63995-70-0) 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
Handling & Storage
- Keep container tightly closed and dry.
- Store in a well-ventilated place.
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Show additional safety reference fields
Fire Fighting
- If necessary, wear a self-contained breathing apparatus for firefighting.
Accidental Release
- Use personal protective equipment and emergency procedures.
- Avoid dust generation.
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 3,3',3''-phosphinetriyltribenzenesulfonate (CAS 63995-70-0)?
Sodium 3,3',3''-phosphinetriyltribenzenesulfonate is identified by CAS 63995-70-0, with molecular formula C18H12Na3O9PS3, molecular weight 568.42, InChIKey MYAJTCUQMQREFZ-UHFFFAOYSA-K.
Can I request a COA for CAS 63995-70-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Sodium 3,3',3''-phosphinetriyltribenzenesulfonate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 63995-70-0 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.