Atomfair 2-Fluoro-3-nitrobenzotrifluoride C7H3F4NO2 CAS 61324-97-8

Description

2-Fluoro-3-nitrobenzotrifluoride (CAS No. 61324-97-8) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃F₄NO₂. This specialized chemical features a nitro group and a trifluoromethyl group on a fluorinated benzene ring, making it a valuable intermediate in pharmaceutical, agrochemical, and materials science research. Its unique electronic properties and reactivity profile enable applications in cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced fluorinated compounds. This product is supplied with comprehensive analytical documentation, including ¹H NMR, ¹³C NMR, and HPLC purity data (typically ≥98%), ensuring reliability for sensitive applications. Proper handling under inert atmosphere is recommended due to its potential sensitivity to moisture and light.

Properties

• CAS Number: 61324-97-8
• Complexity: 225
• IUPAC Name: 2-fluoro-1-nitro-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3F4NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
• InChI Key: PGKWPKDZNHZBQK-UHFFFAOYSA-N
• Exact Mass: 209.00999099
• Molecular Formula: C7H3F4NO2
• Molecular Weight: 209.10
• SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])F)C(F)(F)F
• Topological: 45.8
• Monoisotopic Mass: 209.00999099
• Synonyms: 2-Fluoro-3-nitrobenzotrifluoride, 690-804-3, 61324-97-8, 2-fluoro-1-nitro-3-(trifluoromethyl)benzene, MFCD08532487, 2-FLUORO-3-TRIFLUOROMETHYLNITROBENZENE, Benzene, 2-fluoro-1-nitro-3-(trifluoromethyl)-, 2-Fluoro-3-(trifluoromethyl)nitrobenzene, SCHEMBL6515, SCHEMBL23581895, DTXSID40633119, CL8234, SBB094144, AKOS015920026, DS-14505, SY047604, CS-0119908, EN300-317016

2-Fluoro-3-nitrobenzotrifluoride serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-deficient aromatic ring makes it particularly useful for nucleophilic aromatic substitution reactions in medicinal chemistry. The compound is also employed in materials science for developing liquid crystals and electronic materials where fluorine substitution modulates dielectric properties. Researchers utilize it as a precursor for palladium-catalyzed cross-coupling reactions to construct complex fluorinated architectures.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 3 (100%)
• STOT SE 3 (50%)

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