Description

5-Bromo-2-nitrobenzotrifluoride (CAS No. 344-38-7) is a high-purity halogenated nitroaromatic compound with the molecular formula C₇H₃BrF₃NO₂. This specialized chemical, also known by its IUPAC name 4-bromo-1-nitro-2-(trifluoromethyl)benzene, features a trifluoromethyl group and a nitro group on a brominated benzene ring, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. Its unique structure enables applications in cross-coupling reactions, nucleophilic substitutions, and as a building block for agrochemicals or bioactive molecules. Available in >98% purity (GC), this compound is supplied in rigorously tested batches with detailed analytical certificates (COA, MSDS). Store in a cool, dry place under inert atmosphere to ensure stability.

Properties

• CAS Number: 344-38-7
• Complexity: 228
• IUPAC Name: 4-bromo-1-nitro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
• InChI Key: ZHLYHEDQTJZYFI-UHFFFAOYSA-N
• Exact Mass: 268.92993
• Molecular Formula: C7H3BrF3NO2
• Molecular Weight: 270.00
• SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 268.92993
• Synonyms: 5-Bromo-2-nitrobenzotrifluoride, 344-38-7, DTXSID90187970, DTXCID50110461, 670-400-3, zhlyhedqtjzyfi-uhfffaoysa-n, 4-Bromo-1-nitro-2-(trifluoromethyl)benzene, 5-Bromo-2-mitrobenzotrifluoride, Benzene, 4-bromo-1-nitro-2-(trifluoromethyl)-, MFCD00014706, 2-nitro-5-bromobenzotrifluoride, SCHEMBL1812033, SCHEMBL27913883, SBB009973, AKOS015888975, 5-Bromo-2-nitrobenzotrifluoride, 97%, CS-W012388, DS-10569, ST060226, SY017086, DB-368459, B2853, 4-bromanyl-1-nitro-2-(trifluoromethyl)benzene, A822237

Application

5-Bromo-2-nitrobenzotrifluoride serves as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions for pharmaceutical synthesis. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitutions in the development of fluorinated agrochemicals. Researchers also utilize it to synthesize trifluoromethyl-substituted dyes and liquid crystal materials.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)

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