Description

4-Bromo-2-chlorotoluene (CAS No. 89794-02-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrCl, widely utilized in pharmaceutical, agrochemical, and material science research. This versatile intermediate features a toluene backbone substituted with bromine and chlorine at the 4- and 2-positions, respectively, enabling selective functionalization in coupling reactions (e.g., Suzuki, Buchwald-Hartwig). Our product is rigorously tested to meet ≥98% purity (GC), ensuring optimal performance in organometallic synthesis, liquid crystal development, and as a scaffold for bioactive molecules. Supplied in amber vials under inert gas to prevent degradation, it is ideal for precision applications requiring strict control over halogen reactivity. Key identifiers include MFCD00060651 and EC 629-393-2.

Properties

• CAS Number: 89794-02-5
• Complexity: 94.9
• IUPAC Name: 4-bromo-2-chloro-1-methyl-benzene
• InChI: InChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
• InChI Key: LIFMTDJMLRECMX-UHFFFAOYSA-N
• Exact Mass: 203.93414
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.48
• SMILES: CC1=C(C=C(C=C1)Br)Cl
• Monoisotopic Mass: 203.93414
• Synonyms: 4-Bromo-2-chlorotoluene, 89794-02-5, DTXSID20370792, DTXCID80321826, 629-393-2, 4-bromo-2-chloro-1-methylbenzene, 2-chloro-4-bromotoluene, 4-Bromo-2-chloro toluene, MFCD00060651, 4-bromo-2-chloro-1-methyl-benzene, Benzene, 4-bromo-2-chloro-1-methyl-, 4-bromo-chlorotoluene, 2-Chloro 4-bromo toluene, SCHEMBL168931, SCHEMBL1310845, SCHEMBL6907987, 4-Bromo-2-chlorotoluene, 98%, LIFMTDJMLRECMX-UHFFFAOYSA-N, AC8404, SBB055298, AKOS005259080, PS-8099, 4-bromanyl-2-chloranyl-1-methyl-benzene, SY016937, DB-024282, B2068, CS-0032909, ST50408628, EN300-193159, A843315

4-Bromo-2-chlorotoluene serves as a critical building block in palladium-catalyzed cross-coupling reactions to construct complex biaryl systems for drug discovery. It is employed in the synthesis of liquid crystal materials for optoelectronic devices due to its stable aromatic core and halogen substituents. Researchers also leverage its reactivity in nucleophilic substitution reactions to develop agrochemical intermediates and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.8%): 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 (98%)
• STOT SE 3 (87.8%)

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