Research chemical
CAS Number: 791616-70-1
![(11bR)-4-Hydroxy-2,6-bis(4-(trifluoromethyl)phenyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide molecular structure, CAS 791616-70-1](/structure-images/791616-70-1.png?v=struct-v3)
Product details
PubChem CID
11204494
Exact Mass
644.15511
InChIKey
XURGUTVGAFTYCS-UHFFFAOYSA-N
IUPAC Name
13-hydroxy-10,16-bis[4-(trifluoromethyl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
SMILES String
O=P1(O)OC2=C(C3=C(O1)C(C4=CC=C(C(F)(F)F)C=C4)=CC5=C3CCCC5)C6=C(CCCC6)C=C2C7=CC=C(C(F)(F)F)C=C7
No physical property values available.
(11bR)-4-Hydroxy-2,6-bis(4-(trifluoromethyl)phenyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide is identified by CAS 791616-70-1, with molecular formula C34H27F6O4P, molecular weight 644.54, InChIKey XURGUTVGAFTYCS-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.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
2
Ring count
7
Aromatic rings
4
Topological polar surface area
55.76 Ų
Computed LogP
10.35
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organophosphorus reagent
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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 with Documentation Available (CAS 791616-70-1) 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.
Safety and handling reference content is available through documentation requests.
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 RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Purity 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.