Description

2,3,5-Trifluorobenzoic Acid (CAS No. 654-87-5) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₃F₃O₂. This compound is a versatile building block in organic synthesis, pharmaceutical research, and material science due to its trifluorinated aromatic ring and carboxylic acid functionality. Its unique electronic properties make it valuable for modifying drug molecules, agrochemicals, and liquid crystal materials. Available in >98% purity (HPLC), this product is rigorously tested for consistency and quality, ensuring optimal performance in demanding applications. Packaged under inert conditions to prevent degradation, it is ideal for researchers requiring reliable fluorinated intermediates.

Properties

• CAS Number: 654-87-5
• Complexity: 185
• IUPAC Name: 2,3,5-trifluorobenzoic acid
• InChI: InChI=1S/C7H3F3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
• InChI Key: CPZROMDDCPPFOO-UHFFFAOYSA-N
• Exact Mass: 176.00851382
• Molecular Formula: C7H3F3O2
• Molecular Weight: 176.09
• SMILES: C1=C(C=C(C(=C1C(=O)O)F)F)F
• Topological: 37.3
• Monoisotopic Mass: 176.00851382
• Synonyms: 2,3,5-Trifluorobenzoic acid, 654-87-5, CPZROMDDCPPFOO-UHFFFAOYSA-, DTXSID90380323, DTXCID80331349, 629-971-4, inchi=1/c7h3f3o2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2h,(h,11,12), MFCD00061200, Benzoic acid, 2,3,5-trifluoro-, 2,3,5-Trifluorobenzoicacid, 2,3,5-Trilfluorobenzoic acid, SCHEMBL1421628, CK2234, SBB064033, AKOS006230004, AC-4006, JS-4108, 2,3,5-Trifluorobenzoic acid, AldrichCPR, SY038243, DB-019679, CS-0114058, T2385, EN300-97977

Application

2,3,5-Trifluorobenzoic acid is widely used as a precursor in the synthesis of pharmaceuticals, particularly for introducing fluorine motifs to enhance metabolic stability and bioavailability. It serves as a key intermediate in agrochemical development, contributing to the design of herbicides and pesticides. Researchers also utilize it in material science for creating fluorinated liquid crystals and polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (19.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (19.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (17%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.1%)
• Skin Irrit. 2 (19.1%)
• Eye Irrit. 2 (19.1%)
• STOT SE 3 (17%)

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