Description

2-Bromo-5-(trifluoromethyl)phenol (CAS: 402-05-1) is a high-purity, halogen-substituted phenolic compound with the molecular formula C₇H₄BrF₃O. This specialized chemical features a bromine atom at the ortho position and a trifluoromethyl group at the para position relative to the hydroxyl group, offering unique reactivity for electrophilic aromatic substitution and cross-coupling reactions. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science applications, our product is rigorously tested to ensure ≥98% purity (HPLC/GC) with low trace metal content. Supplied as a crystalline solid in amber glass vials under inert atmosphere to prevent degradation. SDS and analytical certificates (CoA, NMR, MS) are available upon request.

Properties

• CAS Number: 402-05-1
• Complexity: 159
• IUPAC Name: 2-bromo-5-(trifluoromethyl)phenol
• InChI: InChI=1S/C7H4BrF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
• InChI Key: INHVNZLKNPJCJD-UHFFFAOYSA-N
• Exact Mass: 239.93976
• Molecular Formula: C7H4BrF3O
• Molecular Weight: 241.00
• SMILES: C1=CC(=C(C=C1C(F)(F)F)O)Br
• Topological: 20.2
• Monoisotopic Mass: 239.93976
• Synonyms: 402-05-1, 2-bromo-5-(trifluoromethyl)phenol, DTXSID00620005, DTXCID60570759, 802-092-5, 2-Bromo-5-trifluoromethylphenol, MFCD09261190, Phenol, 2-bromo-5-(trifluoromethyl)-, SCHEMBL1928764, CL8462, AKOS005257138, CS-W019293, SY021481, DB-006018, EN300-200494

2-Bromo-5-(trifluoromethyl)phenol serves as a key building block in Suzuki-Miyaura couplings for biaryl synthesis in drug discovery (e.g., kinase inhibitors). Its electron-withdrawing groups enhance reactivity in nucleophilic aromatic substitutions for agrochemical derivatives like herbicides. The compound is also employed in ligand design for transition metal catalysis due to its steric and electronic modulation properties.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (66.7%)
• Skin Corr. 1B (66.7%)
• Acute Tox. 4 (66.7%)

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