Research chemical
CAS Number: 339010-48-9
![(2-Chlorophenyl)methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoate molecular structure, CAS 339010-48-9](/structure-images/339010-48-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3401419
Exact Mass
377.019719
InChIKey
ZVTSWBWWRMNGEX-UHFFFAOYSA-N
IUPAC Name
(2-chlorophenyl)methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILES String
CC(C(=O)OCc1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl
Appearance
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.
(2-Chlorophenyl)methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoate is identified by CAS 339010-48-9, with molecular formula C16H12Cl2F3NO2, molecular weight 378.2, InChIKey ZVTSWBWWRMNGEX-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 crystalline solid
Physical State
Solid
Melting Point
85.0 °C
Boiling Point
380.0 °C
Density
1.45 g/cm³
Water Solubility
Insoluble
Flash Point
200.0 °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
24
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
4
Ring count
2
Aromatic rings
2
Topological polar surface area
39.19 Ų
Computed LogP
5.25
Fragment-like structure rule
No
Lead-like structure rule
No
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
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(2-Chlorophenyl)methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoate is a complex organic compound featuring a 2-chlorophenyl group, a propanoate ester, and a 3-chloro-5-(trifluoromethyl)pyridine moiety.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for research applications in synthetic organic chemistry, medicinal chemistry, and materials science.
Documentation needs
Handle (2-Chlorophenyl)methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoate with appropriate personal protective equipment (PPE), including chemical-resistant gloves, eye protection, and a lab coat.
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 RequestNon-public references are shown as text only and do not imply equivalence, availability, or shared use.