Research chemical
Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate
CAS Number: 1002345-50-7
Product details
Identity & specification
- Molecular formula
- C27H52B2F8P2
- Molecular weight
- 612.26 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
24741039
Exact Mass
612.36026
InChIKey
XJZAIJGNZUQTAM-UHFFFAOYSA-P
IUPAC Name
dicyclohexyl(3-dicyclohexylphosphaniumylpropyl)phosphanium ditetrafluoroborate
SMILES String
F[B-](F)(F)F.F[B-](F)(F)F.[PH+](CCC[PH+](C1CCCCC1)C2CCCCC2)(C3CCCCC3)C4CCCCC4
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
39
H-bond acceptors
0
H-bond donors
0
Rotatable bonds
8
Ring count
4
Aromatic rings
0
Topological polar surface area
0 Ų
Computed LogP
11.74
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
boronic acid or boronate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
Yes
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
Propane-1 (CAS 1002345-50-7) 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
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- Reactivity.
- Carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride, phosphorus oxides.
Disposal
- Dispose of remaining and non-recyclable solutions to a licensed company.
- Contact a professional agency with waste disposal license to handle this substance.
Show additional safety reference fields
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
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 Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate (CAS 1002345-50-7)?
Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate is identified by CAS 1002345-50-7, with molecular formula C27H52B2F8P2, molecular weight 612.26, InChIKey XJZAIJGNZUQTAM-UHFFFAOYSA-P.
Can I request a COA for CAS 1002345-50-7?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1002345-50-7 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.