Research chemical
CAS Number: 1379686-14-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
72943018
Exact Mass
273.022447
InChIKey
BROYIYLWBSRTNS-UHFFFAOYSA-N
SMILES String
Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)O
Appearance
White crystalline powder
Physical State
Solid
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-Amino-4,6-bis(trifluoromethyl)benzoic acid is identified by CAS 1379686-14-2, with molecular formula C9H5F6NO2, molecular weight 273.13, InChIKey BROYIYLWBSRTNS-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
170.0 °C
Boiling Point
365.0 °C
Density
1.55 g/cm³
Water Solubility
Slightly soluble
Flash Point
210.0 °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
18
H-bond acceptors
3
H-bond donors
3
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
63.32 Ų
Computed LogP
3
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
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
A fluorinated aromatic amino acid derivative, 2-Amino-4,6-bis(trifluoromethyl)benzoic acid is a research-use chemical building block.
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 creating fluorinated compounds, pharmaceutical intermediates, and agrochemicals in research settings.
Documentation needs
Handle with appropriate personal protective equipment 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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.