Chemical Identity
Molecular Formula
C8H5ClF3NO2
Molecular Weight
239.58 g/mol
Exact Mass
238.996091
PubChem CID
4643549
SMILES String
Nc1c(Cl)cc(C(=O)O)cc1C(F)(F)F
Names & Synonyms
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External Identifiers
Catalog Overview
4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid (CAS 95656-52-3) is an organic compound characterized by a benzoic acid core substituted with an amino group at position 4, a chlorine atom at position 3, and a trifluoromethyl group at position 5. With a molecular formula of C8H5ClF3NO2 and a molecular weight of 239. 58 g/mol, this compound is classified as a functionalized intermediate. Its distinct chemical structure, featuring both electron-donating (amino) and electron-withdrawing (chloro, trifluoromethyl) groups, makes it a valuable reagent for various synthetic transformations.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid (CAS 95656-52-3) is an organic compound characterized by a benzoic acid core substituted with an amino group at position 4, a chlorine atom at position 3, and a trifluoromethyl group at position 5. With a molecular formula of C8H5ClF3NO2 and a molecular weight of 239.58 g/mol, this compound is classified as a functionalized intermediate. Its distinct chemical structure, featuring both electron-donating (amino) and electron-withdrawing (chloro, trifluoromethyl) groups, makes it a valuable reagent for various synthetic transformations. Researchers utilize this compound as a key intermediate in the synthesis of novel pharmaceutical candidates, agrochemicals, and other fine chemicals, leveraging its reactive carboxylic acid and amino functionalities, as well as the steric and electronic properties conferred by the halogen and trifluoromethyl substituents. It is intended for Research Use Only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
170.0 °C
Boiling Point
299.0 °C
Density
1.53 g/cm³
Water Solubility
Slightly soluble
Flash Point
122.9 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle 4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), including safety glasses, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.
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Catalog discovery cues, not supplier-verified claims.
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