Research chemical
CAS Number: 2891850-08-9
![(11aR)-3,7-Bis(4-(trifluoromethyl)phenyl)-10,11,12,13-tetrahydro-10,10,13,13-tetramethyl-5-hydroxy-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin molecular structure, CAS 2891850-08-9](/structure-images/2891850-08-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
154728550
Exact Mass
658.170765
InChIKey
MARWTQXBWDLYNN-UHFFFAOYSA-N
IUPAC Name
12-hydroxy-4,4,7,7-tetramethyl-1,10-bis[4-(trifluoromethyl)phenyl]-5,6-dihydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
SMILES String
CC1(C)CC23CC(C)(C)c4ccc(-c5ccc(C(F)(F)F)cc5)c(c42)OP(=O)(O)Oc2c(-c4ccc(C(F)(F)F)cc4)ccc1c23
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(11aR)-3,7-Bis(4-(trifluoromethyl)phenyl)-10,11,12,13-tetrahydro-10,10,13,13-tetramethyl-5-hydroxy-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin is identified by CAS 2891850-08-9, with molecular formula C35H29F6O4P, molecular weight 658.6, InChIKey MARWTQXBWDLYNN-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
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
10.58
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
60 g/mol, PubChem CID 154728550.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.