Research chemical
CAS Number: 326-91-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5601
Exact Mass
221.99623
InChIKey
TXBBUSUXYMIVOS-UHFFFAOYSA-N
IUPAC Name
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
SMILES String
C1=CC=C(S1)C(CC(=O)C(F)(F)F)=O
Appearance
2-Thenoyltrifluoroacetone , 2-Thenoyltrifluoroacetone is identified by CAS 326-91-0, with molecular formula C8H5F3O2S, molecular weight 222.18, InChIKey TXBBUSUXYMIVOS-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.
White to yellow to orange solid or semi-solid or liquid or lump
Physical State
solid or liquid
Melting Point
42–42.8 °C
Boiling Point
96–98 °C
Vapor Pressure
Estimated value, unit not specified
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
14
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
34.14 Ų
Computed LogP
2.45
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
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
Research Catalog Compound with Documentation Available on Request (CAS 326-91-0) is listed for specialty intermediate sourcing for research synthesis workflows.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: building-block procurement where identity and documentation are checked before use, 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.