Research chemical
4-Amino-3-bromo-5-(trifluoromethyl)benzoic acid
CAS Number: 97776-05-1
Product details
Identity & specification
- Molecular formula
- C8H5BrF3NO2
- Molecular weight
- 284.03 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
13355512
Exact Mass
282.94558
InChIKey
FJSVZFGLPVHCGT-UHFFFAOYSA-N
SMILES String
Nc1c(Br)cc(C(=O)O)cc1C(F)(F)F
Physical Properties
Appearance
White to off-white crystalline solid
Physical State
Solid
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
Show more physical data
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.
Computed Structure Descriptors
Show calculated structure fields
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.
Catalog Facts
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.
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 4-Amino-3-bromo-5-(trifluoromethyl)benzoic acid (CAS 97776-05-1)?
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.
Can I request a COA for CAS 97776-05-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 4-Amino-3-bromo-5-(trifluoromethyl)benzoic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 97776-05-1 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.