Research chemical
CAS Number: 1020966-22-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
21646188
Exact Mass
264.040957
InChIKey
MPIGKCZXQLXWQD-UHFFFAOYSA-N
SMILES String
CCCC(=O)OC(=O)c1cc(F)c(F)c(F)c1F
Appearance
colorless liquid
Physical State
liquid
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Butanoyl 2,3,4,5-tetrafluorobenzoate is identified by CAS 1020966-22-6, with molecular formula C11H8F4O3, molecular weight 264.17, InChIKey MPIGKCZXQLXWQD-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.
Melting Point
-10
Boiling Point
250.0 °C
Density
1.3 g/cm³
Water Solubility
insoluble
Flash Point
135.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
350.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
18
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
43.37 Ų
Computed LogP
2.73
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
Butanoyl 2,3,4,5-tetrafluorobenzoate is a fluorinated aromatic ester that serves as a versatile functionalized intermediate in organic synthesis, particularly for introducing fluorinated aromatic moieties.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily used in organic synthesis as a building block for the introduction of butanoyl and 2,3,4,5-tetrafluorobenzoyl groups. It is valuable in the synthesis of fluorinated pharmaceuticals, agrochemicals, and materials science research applications.
Documentation needs
Handle with appropriate personal protective equipment (PPE) in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin or eye contact. Store in a cool, dry place, away from incompatible materials.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.