Research chemical
1-Diphenylphosphino-1'-(di-tert-butylphosphino)ferrocene
CAS Number: 95408-38-1
Product details
Identity & specification
- Molecular formula
- C30H28FeP2
- Molecular weight
- 506.34 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
71311578
Exact Mass
506.10156
InChIKey
KVXWCDXJSYVISP-UHFFFAOYSA-N
IUPAC Name
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
SMILES String
CC(C)(C)P(C(C)(C)C)[C-]12[Fe+2]3456789(C1=C7C8=C92)[C-]%10(C3=C4C5=C%106)P(C%11=CC=CC=C%11)C%12=CC=CC=C%12
Physical Properties
Appearance
Form: solid
Physical State
solid
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
33
H-bond acceptors
0
H-bond donors
0
Rotatable bonds
4
Ring count
10
Aromatic rings
2
Topological polar surface area
0 Ų
Computed LogP
7.51
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal phosphine complex
Precious metal motif
No
Transition metal motif
Yes
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.
Catalog Facts
Structural features
Research Catalog Compound - Transition Metal Phosphine Complex (CAS 95408-38-1) 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.
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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestProcurement questions
What are the key identifiers for 1-Diphenylphosphino-1'-(di-tert-butylphosphino)ferrocene (CAS 95408-38-1)?
1-Diphenylphosphino-1'-(di-tert-butylphosphino)ferrocene is identified by CAS 95408-38-1, with molecular formula C30H28FeP2, molecular weight 506.34, InChIKey KVXWCDXJSYVISP-UHFFFAOYSA-N.
Can I request a COA for CAS 95408-38-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1-Diphenylphosphino-1'-(di-tert-butylphosphino)ferrocene?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 95408-38-1 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.