Research chemical
CAS Number: 2250167-83-8
![(11AS)-1,10-bis(3,5-bis(trifluoromethyl)phenyl)-12-hydroxy-4,4,7,7-tetramethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide molecular structure, CAS 2250167-83-8](/structure-images/2250167-83-8.png?v=struct-v3)
Product details
PubChem CID
146252344
Exact Mass
794.145534
InChIKey
VZGIFIRNZHCQDB-UHFFFAOYSA-N
IUPAC Name
1,10-bis[3,5-bis(trifluoromethyl)phenyl]-12-hydroxy-4,4,7,7-tetramethyl-5,6-dihydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
SMILES String
CC1(C)CC23CC(C)(C)c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(c42)OP(=O)(O)Oc2c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc1c23
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(11AS)-1,10-bis(3,5-bis(trifluoromethyl)phenyl)-12-hydroxy-4,4,7,7-tetramethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide is identified by CAS 2250167-83-8, with molecular formula C37H27F12O4P, molecular weight 794.6, InChIKey VZGIFIRNZHCQDB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
54
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
12.62
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 146252344.
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.