Research chemical
CAS Number: 2225176-76-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133554662
Exact Mass
231.067843
InChIKey
AAEGBUCXRCCILK-UHFFFAOYSA-N
IUPAC Name
[2-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid
SMILES String
OB(O)c1cc(C(F)(F)F)cnc1C1CC1
Appearance
(2-Cyclopropyl-5-(trifluoromethyl)pyridin-3-yl)boronic acid is identified by CAS 2225176-76-9, with molecular formula C9H9BF3NO2, molecular weight 230.98, InChIKey AAEGBUCXRCCILK-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 crystalline solid
Physical State
Solid
Melting Point
145.0 °C
Density
1.35 g/cm³
Water Solubility
Slightly soluble
Flash Point
160.0 °C
Vapor Pressure
Estimated very low; 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
16
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
53.35 Ų
Computed LogP
0.66
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(2-Cyclopropyl-5-(trifluoromethyl)pyridin-3-yl)boronic acid is a functionalized pyridine derivative featuring a boronic acid group, a cyclopropyl ring, and a trifluoromethyl substituent.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily used as a versatile building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions, to construct complex pyridine-containing molecules for research and development applications.
Documentation needs
Handle with appropriate personal protective equipment (PPE), including chemical-resistant gloves, eye protection, and a lab coat. Use in a well-ventilated area or a fume hood to prevent inhalation. Avoid direct contact with skin and eyes.
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