Description

2-Chloro-4-nitrobenzotrifluoride (CAS No. 151504-80-2) is a high-purity aromatic compound with the molecular formula C₇H₃ClF₃NO₂. This specialized chemical, also known by its IUPAC name 2-chloro-4-nitro-1-(trifluoromethyl)benzene, features a benzene ring substituted with chloro, nitro, and trifluoromethyl functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure contributes to reactivity in electrophilic aromatic substitution and nucleophilic displacement reactions. Available in >98% purity by GC analysis, this compound is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Proper storage at 2-8°C in tightly sealed containers is recommended to maintain stability. Handling should follow GHS hazard guidelines due to potential irritant properties. Custom packaging options available for industrial-scale quantities.

Properties

• CAS Number: 151504-80-2
• Complexity: 228
• IUPAC Name: 2-chloro-4-nitro-1-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3ClF3NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H
• InChI Key: MOTWHSMEZCFDOD-UHFFFAOYSA-N
• Exact Mass: 224.9804405
• Molecular Formula: C7H3ClF3NO2
• Molecular Weight: 225.55
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(F)(F)F
• Topological: 45.8
• Monoisotopic Mass: 224.9804405
• Synonyms: 2-Chloro-4-nitrobenzotrifluoride, 151504-80-2, DTXSID00381220, DTXCID30332245, 2-chloro-4-nitro-1-(trifluoromethyl)benzene, Benzene, 2-chloro-4-nitro-1-(trifluoromethyl)-, MFCD00171532, 2-Chloro-4-nitro-1-trifluoromethylbenzene, SCHEMBL3630624, LDOYUTBEPIBKFX-UHFFFAOYSA-N, MOTWHSMEZCFDOD-UHFFFAOYSA-N, SBB064778, AKOS015890297, CS-W006360, 3-Chloro-4-trifluoromethyl-nitrobenzene, AC-28591, DS-17017, DB-043101, ST51041739, EN300-53356

Application

2-Chloro-4-nitrobenzotrifluoride serves as a key building block in the synthesis of agrochemicals and pharmaceutical intermediates, particularly in the development of trifluoromethyl-substituted active ingredients. The compound’s electron-withdrawing groups make it valuable for creating heterocyclic compounds through nucleophilic aromatic substitution reactions. Researchers utilize this chemical in material science for modifying aromatic systems in liquid crystal and polymer applications. Its structural features are exploited in medicinal chemistry for drug discovery programs targeting inflammation and CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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