Description

1,2,3-Trifluoro-4-nitrobenzene (CAS No. 771-69-7) is a high-purity fluorinated aromatic compound with the molecular formula C₆H₂F₃NO₂. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique reactivity as a nitro-substituted trifluorobenzene derivative. The compound features three fluorine atoms and a nitro group arranged in a 1,2,3,4-pattern on the benzene ring, creating an electron-deficient aromatic system ideal for nucleophilic aromatic substitution reactions. Our product is synthesized under strict quality control measures, with typical purity levels exceeding 98% (GC analysis), and is supplied in amber glass bottles under inert atmosphere to ensure stability. The material is characterized by ¹H NMR, ¹⁹F NMR, and mass spectrometry to verify identity and purity. Proper handling precautions should be observed as this compound may be harmful if inhaled or absorbed through skin.

Properties

• CAS Number: 771-69-7
• Complexity: 184
• IUPAC Name: 1,2,3-trifluoro-4-nitro-benzene
• InChI: InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
• InChI Key: ARCACZWMYGILNI-UHFFFAOYSA-N
• Exact Mass: 177.00376279
• Molecular Formula: C6H2F3NO2
• Molecular Weight: 177.08
• SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])F)F)F
• Topological: 45.8
• Monoisotopic Mass: 177.00376279
• Synonyms: 1,2,3-Trifluoro-4-nitrobenzene, 771-69-7, 2,3,4-Trifluoronitrobenzene, 2,3,4-trifluoro-1-nitrobenzene, 4-Nitro-1,2,3-trifluorobenzene, Benzene, 1,2,3-trifluoro-4-nitro-, NKN86LZ8MM, EINECS 212-238-4, ARCACZWMYGILNI-UHFFFAOYSA-, DTXSID30227889, DTXCID30150380, 212-238-4, arcaczwmygilni-uhfffaoysa-n, inchi=1/c6h2f3no2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2h, MFCD00041546, Trifluoronitrobenzene, 2,3,4-Trifluornitrobenzene, 1,2,3-trifluoro-4-nitro-benzene, UNII-NKN86LZ8MM, 1,2,3-trifluoronitrobenzene, SCHEMBL57498, 2,3,4-trifluoro-nitrobenzene, 2,3, 4-Trifluoronitrobenzene, 2,3,4-Trifluoronitrobenzene, 99%, SBB063151, AKOS006221877, AB01876, CS-W005136, AC-10203, AS-12427, DB-019659, NS00042140, ST50826830, T1539, EN300-64158, Z992434824

Application

1,2,3-Trifluoro-4-nitrobenzene serves as a versatile building block in organic synthesis, particularly for the preparation of fluorinated anilines and heterocyclic compounds. In pharmaceutical research, it is employed as a precursor for the development of fluorinated drug candidates with enhanced metabolic stability. The compound finds application in materials science for synthesizing liquid crystals and electronic materials that benefit from its strong electron-withdrawing properties. Its reactivity in nucleophilic aromatic substitution reactions makes it valuable for creating diverse fluorinated aromatic scaffolds.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (44.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (55.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (54.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (45.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (54.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (55.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (49.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (45.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 3 (44.6%)
• Acute Tox. 4 (55.4%)
• Skin Irrit. 2 (54.2%)
• Skin Sens. 1 (45.8%)
• Eye Irrit. 2 (54.2%)
• Acute Tox. 4 (55.4%)
• STOT SE 3 (49.4%)
• STOT RE 2 (45.8%)

If you are interested or have any questions, please contact us at support@atomfair.com

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