Research chemical
CAS Number: 97776-05-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
13355512
Exact Mass
282.94558
InChIKey
FJSVZFGLPVHCGT-UHFFFAOYSA-N
SMILES String
Nc1c(Br)cc(C(=O)O)cc1C(F)(F)F
Appearance
White to off-white crystalline solid
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.
4-Amino-3-bromo-5-(trifluoromethyl)benzoic acid is identified by CAS 97776-05-1, with molecular formula C8H5BrF3NO2, molecular weight 284.03, InChIKey FJSVZFGLPVHCGT-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
205.0 °C
Boiling Point
400.0 °C
Density
1.7 g/cm³
Water Solubility
5.75 × 10⁻³ mol/L
Flash Point
122.5 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
450.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
15
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
2.75
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
4-Amino-3-bromo-5-(trifluoromethyl)benzoic acid is a research-use chemical featuring a trifluoromethyl group, a bromine atom, an amino group, and a carboxylic acid functionality on a benzene ring.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is designated for Research Use Only (RUO). Its distinct chemical structure, encompassing a trifluoromethyl group, bromine, and an amino-substituted benzoic acid, suggests its utility as a versatile building block in organic synthesis.
Documentation needs
Handle 4-Amino-3-bromo-5-(trifluoromethyl)benzoic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Ensure use in a well-ventilated area or fume hood to prevent inhalation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.