Research chemical
CAS Number: 878111-18-3
![(11bS)-4-Hydroxy-2,6-dimesityldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide molecular structure, CAS 878111-18-3](/structure-images/878111-18-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11984408
Exact Mass
584.21164
InChIKey
BEHLZZISBCRGSO-UHFFFAOYSA-N
IUPAC Name
13-hydroxy-10,16-bis(2,4,6-trimethylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
SMILES String
O=P1(OC2=C(C3=CC=CC=C3C=C2C4=C(C=C(C)C=C4C)C)C5=C(C(C6=C(C=C(C)C=C6C)C)=CC7=CC=CC=C57)O1)O
No physical property values available.
(11bS)-4-Hydroxy-2,6-dimesityldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide is identified by CAS 878111-18-3, with molecular formula C38H33O4P, molecular weight 584.64, InChIKey BEHLZZISBCRGSO-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
10.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
43
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
2
Ring count
7
Aromatic rings
6
Topological polar surface area
55.76 Ų
Computed LogP
10.72
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.
Structural features
Research Catalog Compound - Phosphine Ligand (CAS 878111-18-3) 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.
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 RequestPurity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.