Description

2-Amino-3-(trifluoromethyl)benzoic acid (CAS No. 313-12-2) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₆F₃NO₂. This white to off-white crystalline powder is a versatile building block in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients with enhanced bioavailability and metabolic stability. With a molecular weight of 205.14 g/mol, it features both an amino (-NH₂) and carboxylic acid (-COOH) functional group ortho to a trifluoromethyl (-CF₃) substituent, enabling diverse derivatization opportunities. Our product is analytically validated by HPLC (>98% purity), NMR, and mass spectrometry, and is supplied in amber glass vials under inert atmosphere to ensure long-term stability. Ideal for medicinal chemistry, this compound is packaged in 1g, 5g, and 25g quantities with optional certificates of analysis for GMP applications.

Properties

• CAS Number: 313-12-2
• Complexity: 229
• IUPAC Name: 2-amino-3-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
• InChI Key: UNLVJVQEDSDPIN-UHFFFAOYSA-N
• Exact Mass: 205.03506292
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.13
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)N)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 205.03506292
• Synonyms: 2-Amino-3-(trifluoromethyl)benzoic acid, 313-12-2, DTXSID10345454, DTXCID00296527, 625-821-7, 3-Trifluoromethylanthranilic acid, 2-amino-3-trifluoromethylbenzoic acid, 2-Amino-3-(Trifluoromethyl)BenzoicAcid, MFCD00274210, 3-(Trifluoromethyl)anthranilic acid, 2-amino-3-trifluoromethyl-benzoic acid, Benzoic acid, 2-amino-3-(trifluoromethyl)-, SCHEMBL158167, 2-amino-trifluoromethyl benzoic acid, SBB052840, 3-trifluoromethyl-2-aminobenzoic acid, AKOS005064001, 2-Amino-3-trifluoromethyl benzoic acid, AC-3893, CS-W009069, PS-8107, SB78500, 2-amino-3-(trifluoromethyl)-benzoic acid, Benzoic acid, 2-amino-3-trifluoromethyl-, 2-Amino-3-(trifluoromethyl)benzoic acid #, DB-008340, ST50319546, EN300-65904, 2-Amino-3-(trifluoromethyl)benzoic acid, 98% dry basis, Z362758742, InChI=1/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14

Application

This compound serves as a key intermediate in the synthesis of trifluoromethyl-substituted heterocycles used as kinase inhibitors and antimicrobial agents. The electron-withdrawing CF₃ group enhances binding affinity in drug-receptor interactions while the orthogonal functional groups allow for parallel synthesis approaches. Researchers employ it in Suzuki-Miyaura cross-coupling reactions to create biaryl pharmacophores, particularly in oncology and CNS drug discovery programs.

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 (100%): 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 (100%)

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