Research chemical
CAS Number: 399-06-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
238298
Exact Mass
217.03506
InChIKey
VVFWWIMDNOGGLM-UHFFFAOYSA-N
IUPAC Name
4,4,4-trifluoro-1-pyridin-4-ylbutane-1,3-dione
SMILES String
O=C(C1=CC=NC=C1)CC(C(F)(F)F)=O
Appearance
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione is identified by CAS 399-06-4, with molecular formula C9H6F3NO2, molecular weight 217.15, InChIKey VVFWWIMDNOGGLM-UHFFFAOYSA-N.
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.
Powder or crystals
Physical State
powder or crystals or crystal
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
15
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
47.03 Ų
Computed LogP
1.79
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
Research Catalog Compound - N-Heterocycle Ligand (CAS 399-06-4) is listed for N-heterocycle ligand sourcing for coordination chemistry research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, 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.
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 RequestCertificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.