Research chemical
Triiron dodecacarbonyl
CAS Number: 100447-70-9
Product details
Identity & specification
- Molecular formula
- C12Fe3O12
- Molecular weight
- 503.65 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
519467
Exact Mass
503.743782
InChIKey
HLYRMDDXFDINCB-UHFFFAOYSA-N
IUPAC Name
carbon monoxide;iron
SMILES String
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
27
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
0
Ring count
0
Aromatic rings
0
Topological polar surface area
238.8 Ų
Computed LogP
-0.46
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.
Catalog Facts
Structural features
Triiron dodecacarbonyl (CAS 100447-70-9) is an English MolGraph catalog reference, molecular formula C12Fe3O12 and molecular weight 503. 65 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Triiron dodecacarbonyl (CAS 100447-70-9)?
Triiron dodecacarbonyl is identified by CAS 100447-70-9, with molecular formula C12Fe3O12, molecular weight 503.65, InChIKey HLYRMDDXFDINCB-UHFFFAOYSA-N.
Can I request a COA for CAS 100447-70-9?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Triiron dodecacarbonyl?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100447-70-9 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.