Research chemical
Tris(2,6-dimethoxyphenyl)phosphine
CAS Number: 85417-41-0
Product details
Identity & specification
- Molecular formula
- C24H27O6P
- Molecular weight
- 442.44 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
2734597
Exact Mass
442.15452
InChIKey
CMLWFCUAXGSMBB-UHFFFAOYSA-N
IUPAC Name
tris(2,6-dimethoxyphenyl)phosphane
SMILES String
COC1=C(P(C2=C(OC)C=CC=C2OC)C3=C(OC)C=CC=C3OC)C(OC)=CC=C1
Physical Properties
Appearance
Form: Crystal - Powder / Colour: White - Slightly pale yellow
Physical State
Crystal - Powder /
Show more physical data
XLogP
4.4
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
31
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
9
Ring count
3
Aromatic rings
3
Topological polar surface area
55.38 Ų
Computed LogP
3.5
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 - Phosphine Ligand (CAS 85417-41-0) 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 Tris(2,6-dimethoxyphenyl)phosphine (CAS 85417-41-0)?
Tris(2,6-dimethoxyphenyl)phosphine is identified by CAS 85417-41-0, with molecular formula C24H27O6P, molecular weight 442.44, InChIKey CMLWFCUAXGSMBB-UHFFFAOYSA-N.
Can I request a COA for CAS 85417-41-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Tris(2,6-dimethoxyphenyl)phosphine?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 85417-41-0 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.