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Research chemical

Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine , t-BuXPhos

CAS Number: 564483-19-8

Chemical structure
Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine , t-BuXPhos molecular structure, CAS 564483-19-8

Product details

Identity & specification

Molecular formula
C29H45P
Molecular weight
424.64 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

11618717

Exact Mass

424.32588

InChIKey

SACNIGZYDTUHKB-UHFFFAOYSA-N

IUPAC Name

ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

SMILES String

CC(C1=C(C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C(C)C)=CC(C(C)C)=C1)C

Physical Properties

Appearance

Form: Crystal - Powder / Colour: White - Very pale yellow

Physical State

Crystal - Powder /

Show more physical data

XLogP

8.5

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

30

H-bond acceptors

0

H-bond donors

0

Rotatable bonds

5

Ring count

2

Aromatic rings

2

Topological polar surface area

0 Ų

Computed LogP

9.43

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 - Phosphine Ligand (CAS 564483-19-8) 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

Research intermediateCustom synthesis building blockCatalysts & ligands sourcingPhosphine ligand sourcingResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, phosphorus oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with waste disposal license to handle this substance.
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 Request

Procurement questions

What are the key identifiers for Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine , t-BuXPhos (CAS 564483-19-8)?

Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine , t-BuXPhos is identified by CAS 564483-19-8, with molecular formula C29H45P, molecular weight 424.64, InChIKey SACNIGZYDTUHKB-UHFFFAOYSA-N.

Can I request a COA for CAS 564483-19-8?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine , t-BuXPhos?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 564483-19-8 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.