Description

1-Bromo-2-chloro-4-(trifluoromethyl)benzene (CAS No. 402-04-0) 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 material science research, our product is rigorously tested to ensure ≥98% purity (GC) with batch-specific certificates of analysis. Packaged under inert gas in amber glass bottles to ensure stability, this compound is a versatile building block for cross-coupling reactions, nucleophilic substitutions, and fluorinated material development. Suitable for use in organometallic chemistry and as a precursor for liquid crystals or OLED materials.

Properties

• CAS Number: 402-04-0
• Complexity: 159
• IUPAC Name: 1-bromo-2-chloro-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
• InChI Key: RVTIHGGJJMXISV-UHFFFAOYSA-N
• Exact Mass: 257.90587
• Molecular Formula: C7H3BrClF3
• Molecular Weight: 259.45
• SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Br
• Monoisotopic Mass: 257.90587
• Synonyms: 402-04-0, 1-bromo-2-chloro-4-(trifluoromethyl)benzene, DTXSID30558307, DTXCID00509088, 4-Bromo-3-chlorobenzotrifluoride, 1-Bromo-2-chloro-4-trifluoromethylbenzene, 3-CHLORO-4-BROMOBENZOTRIFLUORIDE, MFCD00673985, 1-bromo-2-chloro-4-trifluoromethyl-benzene, BENZENE, 1-BROMO-2-CHLORO-4-(TRIFLUOROMETHYL)-, SCHEMBL630411, SCHEMBL1460004, SCHEMBL28430928, SCHEMBL28895821, SBB102205, 2-Chloro-4-trifluoromethylbromobenzene, AKOS005256164, CS-W002666, DS-0867, SY022908, 2-Chloro-4-trifluoromethyl-1-bromobenzene, 1-Bromo-2-chloro-4-(trifluoromethyl)benzene, 4-Bromo-3-chloro-alpha,alpha,alpha-trifluorotoluene

Application

1-Bromo-2-chloro-4-(trifluoromethyl)benzene serves as a key intermediate in the synthesis of trifluoromethyl-substituted pharmaceuticals and agrochemicals. Its electron-deficient aromatic ring facilitates Suzuki-Miyaura and Buchwald-Hartwig coupling reactions for drug discovery. The compound is particularly valuable in developing crop protection agents due to the synergistic effects of halogen and CF₃ groups. Researchers also utilize it to create advanced fluorinated polymers with enhanced thermal and chemical resistance.

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 (100%): 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. 2 (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.