Research chemical

(11bS)-N-(2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide

CAS Number: 2829279-76-5

Product details

Identity & specification

Molecular formula: C37H37F3NO5PS
Molecular weight: 695.73 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

155819535

Exact Mass

695.20821

InChIKey

XWAKVWWNELAZKD-UHFFFAOYSA-N

IUPAC Name

N-[10,16-bis(3,5-dimethylphenyl)-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-yl]-1,1,1-trifluoromethanesulfonamide

SMILES String

O=P1(OC(C(C2=CC(C)=CC(C)=C2)=CC3=C4CCCC3)=C4C5=C6CCCCC6=CC(C7=CC(C)=CC(C)=C7)=C5O1)NS(=O)(C(F)(F)F)=O

Physical Properties

Appearance

Powder or crystals

Physical State

powder or crystals or crystal

Show more physical data

XLogP

10.8

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

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Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

81.7 Å²

Computed LogP

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Structure family

phosphine ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

Yes

N-heterocycle motif

Yes

Boronic acid motif

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 - N-Heterocycle Ligand (CAS 2829279-76-5) is listed for N-heterocycle ligand sourcing for coordination chemistry research.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, 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 sourcingN-heterocycle 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.

Disposal

Waste product.
Dispose of remaining and non-recyclable solutions to a licensed company.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

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

Synonyms & references

Names & Synonyms

(11bR)-N-(2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamideN-((11bR)-2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamideN-((11bS)-2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamideC37H37F3NO5PS

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H315, H319

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P264, P280, P302+P352, P305+P351, P332+P313, P337+P313, P338, P362+P364

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate 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

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

3,8-Dibromo-1,10-phenanthrolineCAS 100125-12-0

6,6''-Dibromo-2,2':6',2''-terpyridineCAS 100366-66-3

(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)CAS 1003886-01-8

(4S,4'S)-2,2'-(Cyclobutane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)CAS 1003886-03-0

(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)CAS 1003886-05-2

Cross-selling keywords

N-heterocycle ligand sourcingRFQ documentation review

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Procurement questions

What are the key identifiers for (11bS)-N-(2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide (CAS 2829279-76-5)?

(11bS)-N-(2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide is identified by CAS 2829279-76-5, with molecular formula C37H37F3NO5PS, molecular weight 695.73, InChIKey XWAKVWWNELAZKD-UHFFFAOYSA-N.

Can I request a COA for CAS 2829279-76-5?

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

Can I request supplier SDS for (11bS)-N-(2,6-Bis(3,5-dimethylphenyl)-4-oxido-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide?

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

Is CAS 2829279-76-5 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.