Description

4-(Trifluoromethyl)anthranilic acid (CAS No. 402-13-1) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₆F₃NO₂. Also known as 2-amino-4-(trifluoromethyl)benzoic acid, this specialized chemical is widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis. Its unique trifluoromethyl (-CF₃) group enhances lipophilicity and metabolic stability, making it a valuable building block for drug discovery and fine chemical applications. This product is rigorously tested for purity (typically ≥97% by HPLC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 402-13-1
• Complexity: 229
• IUPAC Name: 2-amino-4-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
• InChI Key: NQTLZJODEOHALT-UHFFFAOYSA-N
• Exact Mass: 205.03506292
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.13
• SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 205.03506292
• Synonyms: 2-amino-4-(trifluoromethyl)benzoic acid, 402-13-1, 4-(Trifluoromethyl)anthranilic acid, benzoic acid, 2-amino-4-(trifluoromethyl)-, EINECS 206-937-3, DTXSID30193191, DTXCID40115682, 206-937-3, inchi=1/c8h6f3no2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3h,12h2,(h,13,14, 2-Amino-4-(trifluoromethyl)benzoicacid, 2-amino-4-trifluoromethylbenzoic acid, 4-trifluoromethylanthranilic acid, MFCD00519334, 2-amino-4-trifluoromethyl-benzoic acid, CBDivE_012459, MLS000100401, SCHEMBL955863, IFLab1_000253, CHEMBL1501276, 4-trifluoromethyl anthranilic acid, 4-trifluoromethyl-anthranilic acid, HMS1412L11, CK1069, SBB064424, STL483066, 2-amino-4-trifluoromethylbenaoic acid, AKOS001013585, AC-3894, CS-W007507, FA64180, PS-8110, SB77428, IDI1_008472, 2-amino-4-(trifluoromethyl)-benzoic acid, SMR000017327, DB-020403, A2175, A6727, NS00042726, ST50495766, EN300-08036, AB00075927-01, 4-Carboxy-alpha,alpha,alpha-trifluoro-m-toluidine, 2-Amino-4-(trifluoromethyl)benzoic acid, AldrichCPR

Application

4-(Trifluoromethyl)anthranilic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of non-steroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. The compound’s trifluoromethyl group is strategically employed to modify the pharmacokinetic properties of lead molecules in medicinal chemistry. Researchers also utilize this building block in the preparation of advanced materials with tailored electronic properties. Its anthranilic acid core makes it valuable for constructing heterocyclic compounds in agrochemical research.

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 (83.3%): 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 (83.3%)

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