Research chemical
CAS Number: 2225179-44-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133634863
Exact Mass
195.025836
InChIKey
USCQORWFTINVEN-UHFFFAOYSA-N
SMILES String
Cc1c(Cl)cc(C#N)cc1B(O)O
Appearance
White solid
Physical State
Solid
(3-Chloro-5-cyano-2-methylphenyl)boronic acid is identified by CAS 2225179-44-0, with molecular formula C8H7BClNO2, molecular weight 195.41, InChIKey USCQORWFTINVEN-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
190.0 °C
Boiling Point
350.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
180.0 °C
Vapor Pressure
Estimated value, 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
13
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
64.25 Ų
Computed LogP
0.2
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
(3-Chloro-5-cyano-2-methylphenyl)boronic acid is a functionalized arylboronic acid, featuring a phenyl ring substituted with chloro, cyano, and methyl groups, along with a boronic acid moiety.
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 introduce substituted aryl groups into complex molecules for research purposes.
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 to avoid inhalation. Avoid 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