Research chemical
CAS Number: 2225181-30-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133634711
Exact Mass
316.93319
InChIKey
UPEWVRKWCJWWRH-UHFFFAOYSA-N
IUPAC Name
[2-iodo-6-(trifluoromethyl)-4-pyridinyl]boronic acid
SMILES String
OB(O)c1cc(I)nc(C(F)(F)F)c1
Appearance
Catalog navigation
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(2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid is identified by CAS 2225181-30-4, with molecular formula C6H4BF3INO2, molecular weight 316.81, InChIKey UPEWVRKWCJWWRH-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 off-white solid
Physical State
Solid
Melting Point
180.0 °C
Boiling Point
350.0 °C
Density
1.7 g/cm³
Water Solubility
Slightly soluble
Flash Point
180.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
400.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
14
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
53.35 Ų
Computed LogP
0.38
Fragment-like structure rule
No
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
A functionalized pyridine boronic acid derivative, (2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid is a versatile building block in organic synthesis, particularly useful for Suzuki-Miyaura cross-coupling reactions.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily used as a chemical building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions to construct complex pyridine-containing molecules.
Documentation needs
Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact.
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 Request