Research chemical
CAS Number: 12171-57-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
202576
Exact Mass
657.800382
InChIKey
IOVQVVIGCGIMMX-UHFFFAOYSA-J
IUPAC Name
tetrakis(cyclopenta-1,3-diene);tetrakis(oxygen(2-));tetrakis(titanium(4+));tetrachloride
SMILES String
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[O-2].[O-2].[O-2].[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
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.
Titanium(4+) chloride oxide cyclopenta-2,4-dien-1-ide (1/1/1/1) is identified by CAS 12171-57-2, with molecular formula C20H20Cl4O4Ti4, molecular weight 657.6, InChIKey IOVQVVIGCGIMMX-UHFFFAOYSA-J.
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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
0
Ring count
4
Aromatic rings
4
Topological polar surface area
114 Ų
Computed LogP
-6.85
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
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
Titanium(4+) chloride oxide cyclopenta-2,4-dien-1-ide (1/1/1/1) (CAS 12171-57-2) is maintained as a commercial cas reference with formula C20H20Cl4O4Ti4, molecular weight 657. 60 g/mol, PubChem CID 202576.
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 transition-metal-containing structure.
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.