Research chemical

Dicyclohexyl(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)phosphine

CAS Number: 1000171-05-0

Product details

Identity & specification

Molecular formula: C27H37O3P
Molecular weight: 440.55 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

23727242

Exact Mass

440.24803

InChIKey

NTHFAYYJLKWDAE-UHFFFAOYSA-N

IUPAC Name

dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phosphane

SMILES String

COC1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(OC)=CC(OC)=C1

Physical Properties

Appearance

Form: solid

Physical State

solid

Show more physical data

XLogP

6.7

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

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

27.69 Å²

Computed LogP

7.15

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

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

Dicyclohexyl(2' (CAS 1000171-05-0) 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

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

Including any incompatibility.
Close tightly.
Store in a well-ventilated area.

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

The remaining product and non-recyclable solutions should be handed over to a licensed company for disposal.
Contact a professional agency with a 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

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

2'-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl631-191-4Dicyclohexyl(2',4',6'-trimethoxy[1,1'-biphenyl]-2-yl)phosphine2 inverted exclamation marka-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl

External Identifiers

EC NUMBER: 631-191-4DSSTOX SUBSTANCE ID: DTXSID40635835WIKIDATA ID: Q82544268RefChem:439638

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H315, H319, H335

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

Precautionary statements: P261, P305+P351, P338

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

Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborateCAS 1002345-50-7

(2Rp)-1-[(R)-α-(Dimethylamino)-2-(diphenylphosphino)benzyl]-2-diphenylphosphinoferroceneCAS 1003012-96-1

Iron(III) pyrophosphate , Iron(III) pyrophosphateCAS 10058-44-3

(R)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazoleCAS 1006708-91-3

(9-Butyl-9H-fluoren-9-yl)dicyclohexylphosphonium tetrafluoroborateCAS 1007311-98-9

Cross-selling keywords

Phosphine 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 Dicyclohexyl(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)phosphine (CAS 1000171-05-0)?

Dicyclohexyl(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)phosphine is identified by CAS 1000171-05-0, with molecular formula C27H37O3P, molecular weight 440.55, InChIKey NTHFAYYJLKWDAE-UHFFFAOYSA-N.

Can I request a COA for CAS 1000171-05-0?

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

Can I request supplier SDS for Dicyclohexyl(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)phosphine?

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

Is CAS 1000171-05-0 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.