Description

4-Bromo-2-chlorobenzotrifluoride (CAS No. 467435-07-0) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrClF₃. This specialty chemical features a benzene ring substituted with bromo, chloro, and trifluoromethyl groups, offering unique reactivity for advanced synthetic applications. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research, this compound is characterized by its exceptional stability and compatibility with organometallic reactions. Supplied as a clear to pale-yellow liquid (or solid depending on conditions), it is rigorously tested to meet >98% purity standards via GC/HPLC analysis. Proper storage under inert atmosphere at 2-8°C is recommended to maintain optimal shelf life.

Properties

• CAS Number: 467435-07-0
• Complexity: 159
• IUPAC Name: 4-bromo-2-chloro-1-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
• InChI Key: FJANWAMBKVZTRG-UHFFFAOYSA-N
• Exact Mass: 257.90587
• Molecular Formula: C7H3BrClF3
• Molecular Weight: 259.45
• SMILES: C1=CC(=C(C=C1Br)Cl)C(F)(F)F
• Monoisotopic Mass: 257.90587
• Synonyms: 4-Bromo-2-chlorobenzotrifluoride, 678-231-7, 467435-07-0, 4-Bromo-2-chloro-1-(trifluoromethyl)benzene, MFCD08459292, 2-chloro-4-Bromobenzotrifluoride, Benzene, 4-bromo-2-chloro-1-(trifluoromethyl)-, SCHEMBL585377, SCHEMBL1097853, DTXSID70604397, BBL100644, SBB102203, STL554438, AKOS005254644, CS-W012520, 4-Bromo-2-chloro-A,A,A-trifluorotoluene, AS-19102, SY018259, 4-bromo-2-chloro-1-trifluoromethyl-benzene, B3057, NS00042910, 4-bromo-2-chloro-1-(trifluoro-methyl)benzene, EN300-703118

4-Bromo-2-chlorobenzotrifluoride serves as a versatile building block in Suzuki coupling reactions for pharmaceutical API development. Its electron-withdrawing trifluoromethyl group enhances electrophilic aromatic substitution in agrochemical synthesis. Researchers utilize this compound to develop liquid crystal materials and corrosion inhibitors. The bromo and chloro substituents enable sequential functionalization in complex organic transformations.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (33.3%)

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