Description

1-Bromo-2-chloro-4-fluoro-3-methylbenzene (CAS No. 203302-92-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrClF. This specialized chemical is designed for advanced research and industrial applications, featuring a unique substitution pattern of bromo, chloro, fluoro, and methyl groups on a benzene ring. Its precise molecular structure (IUPAC name: 1-bromo-2-chloro-4-fluoro-3-methylbenzene) makes it a valuable intermediate in pharmaceutical synthesis, agrochemical development, and materials science. Available in >98% purity (GC), this compound is supplied in rigorously tested batches with full analytical documentation (including ¹H NMR, ¹³C NMR, and MS spectra). Proper handling requires PPE due to potential irritant properties. Store in cool, dry conditions under inert atmosphere.

Properties

• CAS Number: 203302-92-5
• Complexity: 120
• IUPAC Name: 1-bromo-2-chloro-4-fluoro-3-methyl-benzene
• InChI: InChI=1S/C7H5BrClF/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3
• InChI Key: VHQALVHKNXDJRY-UHFFFAOYSA-N
• Exact Mass: 221.92472
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.47
• SMILES: CC1=C(C=CC(=C1Cl)Br)F
• Monoisotopic Mass: 221.92472
• Synonyms: 203302-92-5, 1-bromo-2-chloro-4-fluoro-3-methylbenzene, 967-908-5, 3-Bromo-2-chloro-6-fluorotoluene, 2-Chloro-3-bromo-6-fluorotoluene, Benzene, 1-bromo-2-chloro-4-fluoro-3-methyl-, MFCD00236591, 1-bromo-2-chloro-4-fluoro-3-methyl-benzene, SCHEMBL221046, SCHEMBL28831509, DTXSID50371217, VHQALVHKNXDJRY-UHFFFAOYSA-N, 3-Bromo-2-chloro-6-fiuorotoluene, 3-Bromo-2-chloro-6-fluoro-toluene, SBB096535, AKOS005063616, AC-2352, PS-10224, SY035516, 4-bromo-3-chloro-1-fluoro-2-methylbenzene, DB-027914, CS-0153674, EN300-6762610

Application

This multi-halogenated toluene derivative serves as a key building block in Suzuki-Miyaura cross-coupling reactions for pharmaceutical intermediates. Its sterically hindered structure facilitates selective functionalization in medicinal chemistry applications, particularly in developing kinase inhibitors. The compound also finds use in liquid crystal material synthesis and as a precursor for advanced agrochemicals. Researchers employ it to study halogen-halogen interactions in crystal engineering.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (100%)
• 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.