Research chemical
2-Amino-4,6-bis(trifluoromethyl)benzoic acid
CAS Number: 1379686-14-2
Product details
Identity & specification
- Molecular formula
- C9H5F6NO2
- Molecular weight
- 273.13 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
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
Physical Properties
Appearance
White crystalline powder
Physical State
Solid
Melting Point
170.0 °C
Boiling Point
365.0 °C
Density
1.55 g/cm³
Water Solubility
Slightly soluble
Flash Point
210.0 °C
Show more physical data
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.
Computed Structure Descriptors
Show calculated structure fields
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.
Catalog Facts
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.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for 2-Amino-4,6-bis(trifluoromethyl)benzoic acid (CAS 1379686-14-2)?
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.
Can I request a COA for CAS 1379686-14-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-Amino-4,6-bis(trifluoromethyl)benzoic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1379686-14-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.