Description

3-Nitro-5-(trifluoromethyl)benzoic acid (CAS No. 328-80-3) is a high-purity aromatic carboxylic acid derivative featuring both nitro and trifluoromethyl functional groups. This compound, with the molecular formula C₈H₄F₃NO₄, is a valuable building block in organic synthesis, pharmaceutical research, and material science applications. Its unique electronic and steric properties make it an excellent intermediate for the development of agrochemicals, pharmaceuticals, and specialty chemicals. Available in various packaging options to suit laboratory and industrial-scale needs, our product undergoes rigorous quality control to ensure ≥98% purity (HPLC). Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 328-80-3
• Complexity: 299
• IUPAC Name: 3-nitro-5-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
• InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N
• Exact Mass: 235.00924210
• Molecular Formula: C8H4F3NO4
• Molecular Weight: 235.12
• SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
• Topological: 83.1
• Monoisotopic Mass: 235.00924210
• Synonyms: 3-Nitro-5-(trifluoromethyl)benzoic acid, 328-80-3, 3-Nitro-5-trifluoromethylbenzoic acid, ODCLHXGXGFBBTA-UHFFFAOYSA-, DTXSID10346941, DTXCID70298013, 630-023-7, inchi=1/c8h4f3no4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3h,(h,13,14), odclhxgxgfbbta-uhfffaoysa-n, 3-Trifluoromethyl-5-nitrobenzoic Acid, MFCD00024509, 3-Carboxy-5-nitrobenzotrifluoride, 3-(trifluoromethyl)-5-nitrobenzoic acid, Benzoic acid, 3-nitro-5-(trifluoromethyl)-, SCHEMBL129366, SCHEMBL969123, CHEMBL2179900, STR05281, CL8096, SBB028565, 5-Trifluoromethyl-3-nitrobenzoic acid, 3-nitro-5-trifluormethyl-benzoic acid, AKOS005216892, 3-nitro-5(trifluoromethyl)benzoic acid, 3-Nitro-5-(trifluoromethyl)benzoicacid, 3-Nitro-5-trifluoromethyl benzoic acid, 3-Nitro-5-trifluoromethyl-benzoic acid, 5-nitro-3-trifluoromethyl-benzoic acid, a,a,a-trifluoro-5-nitro-m-toluic acid, AB01441, AC-4003, CS-W010331, FN70457, 3-nitro-5 (trifluoromethyl)benzoic acid, 5-nitro-3-(trifluoromethyl)benzoic acid, 3-Nitro-5-(trifluoromethyl) benzoic acid, SY024756, ST50407031, T1344, EN300-114573, Z1476863232

Application

3-Nitro-5-(trifluoromethyl)benzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of bioactive molecules and drug candidates. Its electron-withdrawing groups make it valuable in the preparation of ligands for catalysis and functional materials. Researchers also utilize this compound in agrochemical research for designing novel herbicides and pesticides. Additionally, it serves as a precursor in the synthesis of advanced polymers and specialty chemicals with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (19.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): 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 (80.9%)
• Skin Irrit. 2 (19.1%)
• Eye Irrit. 2A (100%)
• 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.