Description

3-Amino-5-(trifluoromethyl)benzoic acid (CAS No. 328-68-7) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₆F₃NO₂. This compound features a trifluoromethyl group and an amino substituent on the benzene ring, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its unique electronic and steric properties enable applications in drug discovery, ligand synthesis, and specialty polymer development. Available in >98% purity (HPLC), this product is supplied as a white to off-white crystalline powder with excellent batch-to-batch consistency. Store in a cool, dry place protected from light. For research use only.

Properties

• CAS Number: 328-68-7
• Complexity: 229
• IUPAC Name: 3-amino-5-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3H,12H2,(H,13,14)
• InChI Key: WBTHOSZMTIPJLR-UHFFFAOYSA-N
• Exact Mass: 205.03506292
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.13
• SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 205.03506292
• Synonyms: 3-Amino-5-(trifluoromethyl)benzoic acid, 328-68-7, DTXSID30346089, DTXCID70297162, 624-414-1, MFCD00236641, 3-Amino-5-(trifluoromethyl)benzoicacid, 3-Amino-5-trifluoromethylbenzoic acid, Benzoic acid, 3-amino-5-(trifluoromethyl)-, SCHEMBL787785, CHEMBL4991837, CK2233, SBB017606, AKOS005216893, 3-Amino-5-trifluoromethyl-benzoic acid, AB05399, AC-3896, CS-W005857, PS-8111, 5-amino-3-(trifluoromethyl)benzoic acid, 3-Amino-5-(trifluoromethyl)-benzoic acid, SY057145, DB-022230, A2481, EN300-52979, 3-Amino-5-(trifluoromethyl)benzoic acid, 97%, Z764473252

Application

3-Amino-5-(trifluoromethyl)benzoic acid serves as a key building block in medicinal chemistry for the synthesis of trifluoromethyl-containing drug candidates. The compound is utilized in the development of protease inhibitors and receptor modulators due to its electron-withdrawing trifluoromethyl group. It also finds application in the preparation of advanced materials such as liquid crystals and specialty coatings where fluorine incorporation enhances thermal and chemical stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.